 Entering Gaussian System, Link 0=g16
 Input=21_phenylethanol_conformer04_STD_wB97XD_augccpVDZ.in
 Output=21_phenylethanol_conformer04_STD_wB97XD_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_augccpVDZ/Gau-15230.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     15235.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=21_phenylethanol_conformer04_STD_wB97XD_augccpVDZ
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 22:10:07 2021, MaxMem=  5368709120 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "21_phenylethanol_conformer04_STD_wB97XD_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  O                                                -2.290197000000      0.748875000000     -0.891176000000
  C                                                -1.648974000000     -0.346953000000     -0.234259000000
  H                                                -1.847181000000      0.897780000000     -1.734096000000
  H                                                -1.837741000000     -1.270698000000     -0.796269000000
  C                                                -2.300915000000     -0.468453000000      1.135040000000
  C                                                -0.150678000000     -0.155244000000     -0.135613000000
  H                                                -3.376843000000     -0.608909000000      1.025779000000
  H                                                -2.123257000000      0.438110000000      1.715196000000
  H                                                -1.885133000000     -1.316357000000      1.680026000000
  C                                                 0.387808000000      1.095483000000      0.166105000000
  C                                                 1.761013000000      1.260318000000      0.290370000000
  C                                                 2.614804000000      0.175587000000      0.119503000000
  C                                                 2.086637000000     -1.073581000000     -0.182153000000
  C                                                 0.711910000000     -1.234195000000     -0.311415000000
  H                                                -0.277717000000      1.939381000000      0.293556000000
  H                                                 2.166838000000      2.236806000000      0.522706000000
  H                                                 3.685054000000      0.305030000000      0.215836000000
  H                                                 2.744500000000     -1.921576000000     -0.323868000000
  H                                                 0.303419000000     -2.208340000000     -0.554934000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     19 NQM=       19 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          16          12           1           1          12          12           1           1           1          12
 AtmWgt=  15.9949146  12.0000000   1.0078250   1.0078250  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250  12.0000000
 NucSpn=           0           0           1           1           0           0           1           1           1           0
 AtZEff=   5.6000000   3.6000000   1.0000000   1.0000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   0.0000000
 AtZNuc=   8.0000000   6.0000000   1.0000000   1.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19
 IAtWgt=          12          12          12          12           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Aug 12 22:10:07 2021, MaxMem=  5368709120 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0       -2.290197    0.748875   -0.891176
      2          6           0       -1.648974   -0.346953   -0.234259
      3          1           0       -1.847181    0.897780   -1.734096
      4          1           0       -1.837741   -1.270698   -0.796269
      5          6           0       -2.300915   -0.468453    1.135040
      6          6           0       -0.150678   -0.155244   -0.135613
      7          1           0       -3.376843   -0.608909    1.025779
      8          1           0       -2.123257    0.438110    1.715196
      9          1           0       -1.885133   -1.316357    1.680026
     10          6           0        0.387808    1.095483    0.166105
     11          6           0        1.761013    1.260318    0.290370
     12          6           0        2.614804    0.175587    0.119503
     13          6           0        2.086637   -1.073581   -0.182153
     14          6           0        0.711910   -1.234195   -0.311415
     15          1           0       -0.277717    1.939381    0.293556
     16          1           0        2.166838    2.236806    0.522706
     17          1           0        3.685054    0.305030    0.215836
     18          1           0        2.744500   -1.921576   -0.323868
     19          1           0        0.303419   -2.208340   -0.554934
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  O    0.000000
     2  C    1.429526   0.000000
     3  H    0.963821   1.959122   0.000000
     4  H    2.071811   1.097631   2.362606   0.000000
     5  C    2.363801   1.521437   3.210048   2.141981   0.000000
     6  C    2.442509   1.513729   2.557759   2.127648   2.517177
     7  H    2.588261   2.154495   3.496697   2.475209   1.090544
     8  H    2.630137   2.154447   3.490721   3.051065   1.090871
     9  H    3.322701   2.158704   4.069407   2.477169   1.090333
    10  C    2.899947   2.527725   2.940243   3.387926   3.257908
    11  C    4.250874   3.806122   4.153187   4.531871   4.494594
    12  C    5.040751   4.310220   4.885356   4.770276   5.060672
    13  C    4.793823   3.805981   4.665803   3.977026   4.620800
    14  C    3.644357   2.523277   3.621917   2.595599   3.428660
    15  H    2.621254   2.717767   2.767584   3.731756   3.255624
    16  H    4.906950   4.670035   4.795675   5.484426   5.258726
    17  H    6.093119   5.392543   5.895694   5.831684   6.105329
    18  H    5.727244   4.667985   5.569654   4.652283   5.449421
    19  H    3.947787   2.716511   3.957712   2.349890   3.558901
                    6          7          8          9         10
     6  C    0.000000
     7  H    3.458726   0.000000
     8  H    2.769229   1.772857   0.000000
     9  H    2.766417   1.775872   1.770902   0.000000
    10  C    1.394747   4.220970   3.022792   3.643513   0.000000
    11  C    2.416576   5.516557   4.218259   4.675979   1.388634
    12  C    2.796860   6.110369   5.006434   4.991048   2.409957
    13  C    2.418902   5.614680   4.858842   4.393360   2.777074
    14  C    1.392516   4.347065   3.865479   3.273717   2.400097
    15  H    2.141910   4.078543   2.771442   3.886633   1.082281
    16  H    3.395021   6.251686   4.802318   5.512062   2.143532
    17  H    3.879202   7.166706   6.000189   5.983288   3.391035
    18  H    3.396678   6.404333   5.781086   5.080884   3.859626
    19  H    2.144117   4.312906   4.248052   3.252759   3.382642
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.390969   0.000000
    13  C    2.403413   1.389380   0.000000
    14  C    2.772248   2.407111   1.390101   0.000000
    15  H    2.148850   3.392336   3.859328   3.378896   0.000000
    16  H    1.082683   2.147526   3.385546   3.854922   2.473221
    17  H    2.149433   1.082345   2.147999   3.389217   4.287272
    18  H    3.386589   2.147438   1.082572   2.145710   4.941862
    19  H    3.856256   3.388285   2.146278   1.084032   4.273318
                   16         17         18         19
    16  H    0.000000
    17  H    2.476067   0.000000
    18  H    4.282817   2.476630   0.000000
    19  H    4.938923   4.283290   2.468704   0.000000
 Stoichiometry    C8H10O
 Framework group  C1[X(C8H10O)]
 Deg. of freedom    51
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 3.39D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0       -2.290197    0.748875   -0.891176
      2          6           0       -1.648974   -0.346953   -0.234259
      3          1           0       -1.847181    0.897780   -1.734096
      4          1           0       -1.837741   -1.270698   -0.796269
      5          6           0       -2.300915   -0.468453    1.135040
      6          6           0       -0.150678   -0.155244   -0.135613
      7          1           0       -3.376843   -0.608909    1.025779
      8          1           0       -2.123257    0.438110    1.715196
      9          1           0       -1.885133   -1.316357    1.680026
     10          6           0        0.387808    1.095483    0.166105
     11          6           0        1.761013    1.260318    0.290370
     12          6           0        2.614804    0.175587    0.119503
     13          6           0        2.086637   -1.073581   -0.182153
     14          6           0        0.711910   -1.234195   -0.311415
     15          1           0       -0.277717    1.939381    0.293556
     16          1           0        2.166838    2.236806    0.522706
     17          1           0        3.685054    0.305030    0.215836
     18          1           0        2.744500   -1.921576   -0.323868
     19          1           0        0.303419   -2.208340   -0.554934
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           3.4873523           1.1087927           0.9832918
 Leave Link  202 at Thu Aug 12 22:10:08 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       3      4      7      8      9     15     16     17     18     19
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       2      5      6     10     11     12     13     14
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  27 primitive shells out of 332 were deleted.
 There are   315 symmetry adapted cartesian basis functions of A   symmetry.
 There are   297 symmetry adapted basis functions of A   symmetry.
   297 basis functions,   543 primitive gaussians,   315 cartesian basis functions
    33 alpha electrons       33 beta electrons
       nuclear repulsion energy       425.6499884117 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   19 NActive=   19 NUniq=   19 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0102665437 Hartrees.
 Nuclear repulsion after empirical dispersion term =      425.6397218681 Hartrees.
 Leave Link  301 at Thu Aug 12 22:10:10 2021, MaxMem=  5368709120 cpu:              17.1 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   297 RedAO= T EigKep=  1.82D-06  NBF=   297
 NBsUse=   297 1.00D-06 EigRej= -1.00D+00 NBFU=   297
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   315   315   315   315   315 MxSgAt=    19 MxSgA2=    19.
 Leave Link  302 at Thu Aug 12 22:10:11 2021, MaxMem=  5368709120 cpu:               4.0 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 22:10:11 2021, MaxMem=  5368709120 cpu:               0.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "21_phenylethanol_conformer04_STD_wB97XD_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 22:10:12 2021, MaxMem=  5368709120 cpu:               4.1 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368505071 LenY=  5368405405
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -386.011520194673    
 DIIS: error= 2.27D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -386.011520194673     IErMin= 1 ErrMin= 2.27D-03
 ErrMax= 2.27D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.79D-03 BMatP= 4.79D-03
 IDIUse=3 WtCom= 9.77D-01 WtEn= 2.27D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.377 Goal=   None    Shift=    0.000
 GapD=    0.377 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=4.99D-02 MaxDP=2.82D+00              OVMax= 1.41D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  4.18D-02    CP:  1.55D+00
 E= -386.015334829358     Delta-E=       -0.003814634685 Rises=F Damp=F
 DIIS: error= 2.70D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -386.015334829358     IErMin= 2 ErrMin= 2.70D-04
 ErrMax= 2.70D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.62D-05 BMatP= 4.79D-03
 IDIUse=3 WtCom= 9.97D-01 WtEn= 2.70D-03
 Coeff-Com: -0.498D-01 0.105D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.497D-01 0.105D+01
 Gap=     0.360 Goal=   None    Shift=    0.000
 RMSDP=8.40D-03 MaxDP=4.82D-01 DE=-3.81D-03 OVMax= 4.24D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.37D-03    CP:  1.65D+00  1.16D+00
 E= -386.015435264621     Delta-E=       -0.000100435263 Rises=F Damp=F
 DIIS: error= 1.94D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -386.015435264621     IErMin= 3 ErrMin= 1.94D-04
 ErrMax= 1.94D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.35D-05 BMatP= 7.62D-05
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.94D-03
 Coeff-Com: -0.347D-01 0.464D+00 0.571D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.346D-01 0.463D+00 0.572D+00
 Gap=     0.360 Goal=   None    Shift=    0.000
 RMSDP=5.30D-04 MaxDP=2.97D-02 DE=-1.00D-04 OVMax= 1.63D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  8.92D-05    CP:  1.66D+00  1.17D+00  1.08D+00
 E= -386.015467829236     Delta-E=       -0.000032564614 Rises=F Damp=F
 DIIS: error= 6.00D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -386.015467829236     IErMin= 4 ErrMin= 6.00D-05
 ErrMax= 6.00D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.85D-06 BMatP= 4.35D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.408D-03-0.546D-01 0.155D+00 0.900D+00
 Coeff:     -0.408D-03-0.546D-01 0.155D+00 0.900D+00
 Gap=     0.360 Goal=   None    Shift=    0.000
 RMSDP=3.30D-04 MaxDP=1.90D-02 DE=-3.26D-05 OVMax= 7.00D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  5.65D-05    CP:  1.66D+00  1.18D+00  1.16D+00  1.54D+00
 E= -386.015471073614     Delta-E=       -0.000003244378 Rises=F Damp=F
 DIIS: error= 1.91D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -386.015471073614     IErMin= 5 ErrMin= 1.91D-05
 ErrMax= 1.91D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.75D-07 BMatP= 2.85D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.231D-02-0.485D-01 0.566D-02 0.254D+00 0.787D+00
 Coeff:      0.231D-02-0.485D-01 0.566D-02 0.254D+00 0.787D+00
 Gap=     0.360 Goal=   None    Shift=    0.000
 RMSDP=2.65D-05 MaxDP=1.32D-03 DE=-3.24D-06 OVMax= 2.10D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.35D-05    CP:  1.66D+00  1.18D+00  1.17D+00  1.64D+00  1.26D+00
 E= -386.015471310491     Delta-E=       -0.000000236877 Rises=F Damp=F
 DIIS: error= 5.38D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -386.015471310491     IErMin= 6 ErrMin= 5.38D-06
 ErrMax= 5.38D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.35D-08 BMatP= 1.75D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.711D-03-0.102D-01-0.921D-02 0.604D-02 0.274D+00 0.738D+00
 Coeff:      0.711D-03-0.102D-01-0.921D-02 0.604D-02 0.274D+00 0.738D+00
 Gap=     0.360 Goal=   None    Shift=    0.000
 RMSDP=1.76D-05 MaxDP=9.76D-04 DE=-2.37D-07 OVMax= 6.78D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  4.55D-06    CP:  1.66D+00  1.18D+00  1.16D+00  1.68D+00  1.30D+00
                    CP:  1.03D+00
 E= -386.015471341386     Delta-E=       -0.000000030895 Rises=F Damp=F
 DIIS: error= 1.47D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -386.015471341386     IErMin= 7 ErrMin= 1.47D-06
 ErrMax= 1.47D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.64D-09 BMatP= 2.35D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.199D-04 0.233D-02-0.346D-02-0.307D-01-0.622D-02 0.239D+00
 Coeff-Com:  0.799D+00
 Coeff:     -0.199D-04 0.233D-02-0.346D-02-0.307D-01-0.622D-02 0.239D+00
 Coeff:      0.799D+00
 Gap=     0.360 Goal=   None    Shift=    0.000
 RMSDP=9.21D-06 MaxDP=5.61D-04 DE=-3.09D-08 OVMax= 2.77D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.32D-06    CP:  1.66D+00  1.18D+00  1.16D+00  1.69D+00  1.31D+00
                    CP:  1.11D+00  1.04D+00
 E= -386.015471345271     Delta-E=       -0.000000003885 Rises=F Damp=F
 DIIS: error= 6.59D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -386.015471345271     IErMin= 8 ErrMin= 6.59D-07
 ErrMax= 6.59D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.16D-10 BMatP= 2.64D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.889D-04 0.205D-02-0.246D-03-0.135D-01-0.349D-01 0.974D-02
 Coeff-Com:  0.333D+00 0.704D+00
 Coeff:     -0.889D-04 0.205D-02-0.246D-03-0.135D-01-0.349D-01 0.974D-02
 Coeff:      0.333D+00 0.704D+00
 Gap=     0.360 Goal=   None    Shift=    0.000
 RMSDP=2.03D-06 MaxDP=1.04D-04 DE=-3.89D-09 OVMax= 1.00D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  5.99D-07    CP:  1.66D+00  1.18D+00  1.16D+00  1.69D+00  1.31D+00
                    CP:  1.12D+00  1.09D+00  9.54D-01
 E= -386.015471345856     Delta-E=       -0.000000000585 Rises=F Damp=F
 DIIS: error= 1.14D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -386.015471345856     IErMin= 9 ErrMin= 1.14D-07
 ErrMax= 1.14D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.22D-11 BMatP= 4.16D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.709D-05 0.282D-04 0.224D-03 0.102D-02-0.281D-02-0.169D-01
 Coeff-Com: -0.292D-01 0.668D-01 0.981D+00
 Coeff:     -0.709D-05 0.282D-04 0.224D-03 0.102D-02-0.281D-02-0.169D-01
 Coeff:     -0.292D-01 0.668D-01 0.981D+00
 Gap=     0.360 Goal=   None    Shift=    0.000
 RMSDP=4.24D-07 MaxDP=1.77D-05 DE=-5.85D-10 OVMax= 3.26D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.56D-07    CP:  1.66D+00  1.18D+00  1.16D+00  1.68D+00  1.31D+00
                    CP:  1.11D+00  1.10D+00  1.00D+00  1.08D+00
 E= -386.015471345888     Delta-E=       -0.000000000032 Rises=F Damp=F
 DIIS: error= 5.28D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -386.015471345888     IErMin=10 ErrMin= 5.28D-08
 ErrMax= 5.28D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.00D-12 BMatP= 1.22D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.710D-05-0.216D-03 0.116D-03 0.196D-02 0.294D-02-0.763D-02
 Coeff-Com: -0.487D-01-0.527D-01 0.381D+00 0.724D+00
 Coeff:      0.710D-05-0.216D-03 0.116D-03 0.196D-02 0.294D-02-0.763D-02
 Coeff:     -0.487D-01-0.527D-01 0.381D+00 0.724D+00
 Gap=     0.360 Goal=   None    Shift=    0.000
 RMSDP=1.75D-07 MaxDP=8.55D-06 DE=-3.17D-11 OVMax= 1.28D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  4.85D-08    CP:  1.66D+00  1.18D+00  1.16D+00  1.68D+00  1.31D+00
                    CP:  1.11D+00  1.09D+00  1.00D+00  1.10D+00  1.09D+00
 E= -386.015471345902     Delta-E=       -0.000000000015 Rises=F Damp=F
 DIIS: error= 2.49D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -386.015471345902     IErMin=11 ErrMin= 2.49D-08
 ErrMax= 2.49D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.30D-13 BMatP= 3.00D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.231D-05-0.501D-04-0.284D-05 0.311D-03 0.920D-03 0.186D-03
 Coeff-Com: -0.718D-02-0.191D-01-0.215D-01 0.163D+00 0.884D+00
 Coeff:      0.231D-05-0.501D-04-0.284D-05 0.311D-03 0.920D-03 0.186D-03
 Coeff:     -0.718D-02-0.191D-01-0.215D-01 0.163D+00 0.884D+00
 Gap=     0.360 Goal=   None    Shift=    0.000
 RMSDP=4.51D-08 MaxDP=2.61D-06 DE=-1.47D-11 OVMax= 5.14D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.24D-08    CP:  1.66D+00  1.18D+00  1.16D+00  1.68D+00  1.31D+00
                    CP:  1.11D+00  1.09D+00  1.00D+00  1.10D+00  1.17D+00
                    CP:  1.05D+00
 E= -386.015471345885     Delta-E=        0.000000000017 Rises=F Damp=F
 DIIS: error= 9.33D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -386.015471345902     IErMin=12 ErrMin= 9.33D-09
 ErrMax= 9.33D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.47D-14 BMatP= 2.30D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.312D-06 0.154D-04-0.192D-04-0.184D-03-0.127D-03 0.124D-02
 Coeff-Com:  0.466D-02 0.113D-02-0.609D-01-0.525D-01 0.277D+00 0.830D+00
 Coeff:     -0.312D-06 0.154D-04-0.192D-04-0.184D-03-0.127D-03 0.124D-02
 Coeff:      0.466D-02 0.113D-02-0.609D-01-0.525D-01 0.277D+00 0.830D+00
 Gap=     0.360 Goal=   None    Shift=    0.000
 RMSDP=9.70D-09 MaxDP=7.29D-07 DE= 1.69D-11 OVMax= 2.90D-07

 SCF Done:  E(RwB97XD) =  -386.015471346     A.U. after   12 cycles
            NFock= 12  Conv=0.97D-08     -V/T= 2.0061
 KE= 3.836937543447D+02 PE=-1.748897685782D+03 EE= 5.535487382234D+02
 Leave Link  502 at Thu Aug 12 22:14:07 2021, MaxMem=  5368709120 cpu:            1871.0 elap:             234.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   297
 NBasis=   297 NAE=    33 NBE=    33 NFC=     0 NFV=     0
 NROrb=    297 NOA=    33 NOB=    33 NVA=   264 NVB=   264

 **** Warning!!: The largest alpha MO coefficient is  0.10673158D+03

 Leave Link  801 at Thu Aug 12 22:14:07 2021, MaxMem=  5368709120 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5873 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          19
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.45D-13 8.33D-09 XBig12= 1.00D+00 4.26D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.45D-13 8.33D-09 XBig12= 2.08D-01 7.42D-02.
     11 vectors produced by pass  2 Test12= 1.45D-13 8.33D-09 XBig12= 3.77D-02 6.90D-02.
     11 vectors produced by pass  3 Test12= 1.45D-13 8.33D-09 XBig12= 2.75D-03 1.47D-02.
     11 vectors produced by pass  4 Test12= 1.45D-13 8.33D-09 XBig12= 2.25D-04 4.28D-03.
     11 vectors produced by pass  5 Test12= 1.45D-13 8.33D-09 XBig12= 1.53D-05 7.92D-04.
     11 vectors produced by pass  6 Test12= 1.45D-13 8.33D-09 XBig12= 5.61D-07 1.58D-04.
     11 vectors produced by pass  7 Test12= 1.45D-13 8.33D-09 XBig12= 1.03D-08 1.65D-05.
     11 vectors produced by pass  8 Test12= 1.45D-13 8.33D-09 XBig12= 1.89D-10 2.06D-06.
     11 vectors produced by pass  9 Test12= 1.45D-13 8.33D-09 XBig12= 3.10D-12 2.62D-07.
      7 vectors produced by pass 10 Test12= 1.45D-13 8.33D-09 XBig12= 5.30D-14 3.36D-08.
      1 vectors produced by pass 11 Test12= 1.45D-13 8.33D-09 XBig12= 5.92D-15 1.12D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.84D-14
 Solved reduced A of dimension   118 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.128894D+03
      2  0.778511D+00  0.104940D+03
      3  0.541025D+00  0.505840D+01  0.751638D+02
 Isotropic polarizability for W=    0.085645      103.00 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.981371D+02  0.444514D+01  0.547164D+01
      2  -0.351062D+02 -0.123321D+02 -0.158348D+02
      3  -0.630310D+02  0.788691D+01  0.103631D+02
      4  -0.137552D+02  0.849246D+02  0.292117D+02
      5   0.324673D+02  0.303000D+02 -0.147071D+02
      6   0.113835D+02  0.990222D+01 -0.673961D+01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.120317D+01  0.619009D+01  0.469470D+01
      2   0.197382D+01  0.127320D+02 -0.404797D+01
      3  -0.834348D+01 -0.428359D+02 -0.126617D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.108827D+01  0.257370D+02  0.146265D+02
      2  -0.269956D+02  0.178282D+02  0.483239D+02
      3  -0.182003D+02 -0.120031D+03 -0.189164D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.307240D+00 -0.219831D+01  0.465474D+00
      2  -0.219831D+01 -0.247538D+01  0.275762D+01
      3   0.465474D+00  0.275762D+01  0.103532D+01
 OR G Eigenvalues:    -4.8892     0.9722     2.7842  Iso=     0.3776
 Eigenvectors:
   (1)   0.385854   0.824426  -0.414051
   (2)   0.858191  -0.156049   0.489036
   (3)  -0.338562   0.544032   0.767727
 w=    0.085645 a.u., Optical Rotation Beta=      0.3776 au.
 Molar Mass =    122.1664 grams/mole, [Alpha] ( 5320.0 A) =      146.59 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   44253 ScalPx= 1.78D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   44253 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.64D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.42D-14 2.78D-09 XBig12= 1.00D+00 4.59D-01.
     30 vectors produced by pass  1 Test12= 2.42D-14 2.78D-09 XBig12= 2.95D-02 4.02D-02.
     30 vectors produced by pass  2 Test12= 2.42D-14 2.78D-09 XBig12= 1.26D-03 7.94D-03.
     30 vectors produced by pass  3 Test12= 2.42D-14 2.78D-09 XBig12= 1.59D-05 8.42D-04.
     30 vectors produced by pass  4 Test12= 2.42D-14 2.78D-09 XBig12= 2.52D-07 1.27D-04.
     30 vectors produced by pass  5 Test12= 2.42D-14 2.78D-09 XBig12= 3.19D-09 1.20D-05.
     30 vectors produced by pass  6 Test12= 2.42D-14 2.78D-09 XBig12= 2.99D-11 7.46D-07.
     30 vectors produced by pass  7 Test12= 2.42D-14 2.78D-09 XBig12= 2.21D-13 6.81D-08.
      7 vectors produced by pass  8 Test12= 2.42D-14 2.78D-09 XBig12= 2.38D-15 8.60D-09.
      1 vectors produced by pass  9 Test12= 2.42D-14 2.78D-09 XBig12= 6.15D-16 4.60D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.55D-15
 Solved reduced A of dimension   248 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   44253 ScalPx= 5.06D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   44253 ScalPx= 5.06D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   44253 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 4.90D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.128894D+03  0.778511D+00  0.541025D+00
      2   0.778511D+00  0.104940D+03  0.505840D+01
      3   0.541025D+00  0.505840D+01  0.751638D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.120317D+01  0.619009D+01  0.469470D+01
      2   0.197382D+01  0.127320D+02 -0.404797D+01
      3  -0.834348D+01 -0.428359D+02 -0.126617D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.981371D+02  0.444514D+01  0.547164D+01
      2  -0.351062D+02 -0.123321D+02 -0.158348D+02
      3  -0.630310D+02  0.788691D+01  0.103631D+02
      4  -0.137552D+02  0.849246D+02  0.292117D+02
      5   0.324673D+02  0.303000D+02 -0.147071D+02
      6   0.113835D+02  0.990222D+01 -0.673961D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.616690D+01  0.215109D+01 -0.131189D+01  0.392154D+01 -0.239045D+01
      2   0.215109D+01 -0.120341D+01  0.184415D+01 -0.239045D+01  0.126468D+01
      3  -0.131189D+01  0.184415D+01 -0.340813D+01  0.154507D+01 -0.143308D+01
                 6             7             8             9            10 
      1   0.154507D+01  0.535317D+00  0.100562D+01 -0.271631D+01  0.530627D+01
      2  -0.143308D+01  0.100562D+01  0.111552D+01 -0.591400D+00  0.153570D+00
      3  -0.157546D+00 -0.271631D+01 -0.591400D+00  0.382881D+01 -0.110000D+01
                11            12            13            14            15 
      1   0.153570D+00 -0.110000D+01 -0.303904D+00  0.290571D+01 -0.172414D+01
      2   0.577304D+00 -0.135321D+01  0.290571D+01  0.407664D+01  0.400532D+01
      3  -0.135321D+01  0.229792D+01 -0.172414D+01  0.400532D+01  0.106434D+01
                16            17            18            19            20 
      1  -0.447936D+01 -0.146760D+01  0.505279D+01  0.105453D+01  0.794380D-01
      2  -0.146760D+01  0.247494D+01  0.180823D+01  0.794380D-01  0.535842D+00
      3   0.505279D+01  0.180823D+01 -0.179814D+01 -0.533791D+00 -0.947123D+00
                21            22            23            24            25 
      1  -0.533791D+00  0.203991D+00 -0.221090D+00 -0.126058D+00 -0.170808D+01
      2  -0.947123D+00 -0.221090D+00  0.131454D+01 -0.119056D+01  0.437290D-01
      3   0.240533D+01 -0.126058D+00 -0.119056D+01  0.149421D+01  0.130546D+00
                26            27            28            29            30 
      1   0.437290D-01  0.130546D+00 -0.610610D+00 -0.139499D+01 -0.558600D+00
      2  -0.177466D+01  0.211893D+01 -0.139499D+01 -0.100832D+01 -0.353878D+00
      3   0.211893D+01 -0.720339D+01 -0.558600D+00 -0.353878D+00 -0.879854D+00
                31            32            33            34            35 
      1  -0.300040D+01 -0.206842D+01 -0.584015D+00 -0.655550D+00 -0.676597D+00
      2  -0.206842D+01 -0.592113D+01 -0.225900D+01 -0.676597D+00 -0.240226D+01
      3  -0.584015D+00 -0.225900D+01 -0.224051D+01 -0.131830D+01 -0.197691D+01
                36            37            38            39            40 
      1  -0.131830D+01  0.879358D+01  0.159994D+01  0.381104D+00  0.143225D+01
      2  -0.197691D+01  0.159994D+01 -0.183953D+01  0.930830D+00 -0.160707D+01
      3  -0.208359D+01  0.381104D+00  0.930830D+00 -0.296036D+01  0.123574D+01
                41            42            43            44            45 
      1  -0.160707D+01  0.123574D+01  0.593556D+01  0.154033D+01 -0.424702D+01
      2  -0.350767D+00 -0.436440D+01  0.154033D+01 -0.321176D+01 -0.112739D+01
      3  -0.436440D+01 -0.695525D+00 -0.424702D+01 -0.112739D+01  0.139075D+01
                46            47            48            49            50 
      1  -0.181183D+02 -0.185363D+01 -0.276715D-01 -0.333388D+01  0.158305D+01
      2  -0.185363D+01 -0.267830D+01  0.270133D+00  0.158305D+01 -0.447226D+00
      3  -0.276715D-01  0.270133D+00 -0.246219D+01  0.119698D+01 -0.176919D+00
                51            52            53            54            55 
      1   0.119698D+01 -0.848061D+00  0.122596D+01 -0.418303D+01 -0.140667D+02
      2  -0.176919D+00  0.122596D+01 -0.528207D+00 -0.580751D+00 -0.173421D+01
      3  -0.327449D-01 -0.418303D+01 -0.580751D+00 -0.706067D+00  0.160578D+01
                56            57            58            59            60 
      1  -0.173421D+01  0.160578D+01 -0.172167D+01 -0.142176D+01  0.178811D+00
      2  -0.119254D+01  0.210451D+00 -0.142176D+01 -0.573136D+00  0.555874D+00
      3   0.210451D+00 -0.150986D+01  0.178811D+00  0.555874D+00 -0.243122D+00
                61            62            63            64            65 
      1  -0.147574D+01 -0.266792D+00 -0.654590D+00 -0.286407D+00  0.583121D+00
      2  -0.266792D+00  0.434600D-01 -0.737419D-01  0.583121D+00  0.404262D+00
      3  -0.654590D+00 -0.737419D-01 -0.216556D+00  0.197514D+00  0.753466D-01
                66            67            68            69            70 
      1   0.197514D+00  0.190202D+01 -0.131978D+00 -0.811594D+00  0.671374D+00
      2   0.753466D-01 -0.131978D+00  0.365912D+01  0.242365D+01 -0.269620D+00
      3   0.878957D+00 -0.811594D+00  0.242365D+01  0.319383D+01 -0.104803D+00
                71            72            73            74            75 
      1  -0.269620D+00 -0.104803D+00  0.133288D-01 -0.899939D+00  0.493693D+00
      2   0.204868D+01  0.159462D+01 -0.899939D+00  0.123959D+01 -0.815194D+00
      3   0.159462D+01  0.318154D+01  0.493693D+00 -0.815194D+00  0.149211D+01
                76            77            78            79            80 
      1  -0.152047D+01  0.257725D+00 -0.377763D-01  0.452720D+00 -0.247149D+00
      2   0.257725D+00 -0.405821D+01  0.265693D+01 -0.247149D+00  0.214828D+01
      3  -0.377763D-01  0.265693D+01 -0.258805D+01  0.307114D+00 -0.176477D+01
                81            82            83            84            85 
      1   0.307114D+00  0.410416D+01 -0.775193D+00  0.298633D+00  0.850792D+01
      2  -0.176477D+01 -0.775193D+00 -0.390599D+01 -0.645946D+00 -0.109318D+00
      3   0.290987D+01  0.298633D+00 -0.645946D+00 -0.203759D+01  0.459824D+00
                86            87            88            89            90 
      1  -0.109318D+00  0.459824D+00  0.278779D+01 -0.191620D+00 -0.179775D+01
      2   0.157246D+01 -0.892013D+00 -0.191620D+00 -0.149744D+01  0.314902D+01
      3  -0.892013D+00  0.172383D+01 -0.179775D+01  0.314902D+01  0.123151D+01
                91            92            93            94            95 
      1  -0.447592D+01 -0.546086D+00 -0.248134D+00  0.554363D+01  0.410906D+00
      2  -0.546086D+00  0.288212D+01 -0.249468D+00  0.410906D+00  0.166527D+01
      3  -0.248134D+00 -0.249468D+00  0.100242D+01 -0.293819D+00 -0.103273D+01
                96            97            98            99           100 
      1  -0.293819D+00  0.660468D+00 -0.702578D+00  0.196046D+01  0.658013D+01
      2  -0.103273D+01 -0.702578D+00 -0.118364D+01  0.385319D+01  0.451319D+00
      3   0.228780D+01  0.196046D+01  0.385319D+01  0.253601D+01 -0.406174D+00
               101           102           103           104           105 
      1   0.451319D+00 -0.406174D+00  0.102932D+01 -0.585248D+00 -0.123222D+01
      2   0.350131D+01  0.562763D-01 -0.585248D+00  0.169281D+00 -0.592283D+00
      3   0.562763D-01  0.318825D+01 -0.123222D+01 -0.592283D+00  0.182968D+00
               106           107           108           109           110 
      1  -0.927490D-01 -0.127691D+01  0.541255D+01 -0.280452D+01 -0.948806D+00
      2  -0.127691D+01  0.781106D-01  0.455294D+00 -0.948806D+00  0.327184D+01
      3   0.541255D+01  0.455294D+00  0.109773D+01 -0.535575D+00  0.853456D+00
               111           112           113           114           115 
      1  -0.535575D+00 -0.626388D+01 -0.745401D+00 -0.990257D+00 -0.180914D+01
      2   0.853456D+00 -0.745401D+00 -0.113160D+01  0.128853D+01 -0.588651D+00
      3   0.195540D+01 -0.990257D+00  0.128853D+01 -0.211161D+01  0.294585D+01
               116           117           118           119           120 
      1  -0.588651D+00  0.294585D+01  0.573889D+01  0.260132D+01  0.978194D+00
      2   0.168517D+01 -0.325285D+01  0.260132D+01 -0.283149D+01 -0.166029D+00
      3  -0.325285D+01 -0.160369D+01  0.978194D+00 -0.166029D+00 -0.113528D+01
               121           122           123           124           125 
      1  -0.698259D+01 -0.624257D+00  0.128989D+00 -0.811431D+00  0.931656D+00
      2  -0.624257D+00 -0.205441D+01  0.104550D+01  0.931656D+00  0.107958D+01
      3   0.128989D+00  0.104550D+01 -0.195966D+01 -0.969194D+00 -0.354250D+01
               126           127           128           129           130 
      1  -0.969194D+00 -0.324717D+01  0.228510D+01  0.234220D+00  0.238357D+01
      2  -0.354250D+01  0.228510D+01 -0.271121D+01 -0.301467D+00 -0.283088D+01
      3  -0.268325D+01  0.234220D+00 -0.301467D+00 -0.418521D+00 -0.530791D+00
               131           132           133           134           135 
      1  -0.283088D+01 -0.530791D+00  0.153643D+00 -0.431011D+00 -0.200692D-01
      2   0.579607D+01  0.802951D+00 -0.431011D+00  0.976633D+00  0.147294D+00
      3   0.802951D+00  0.780742D+00 -0.200692D-01  0.147294D+00  0.177284D+00
               136           137           138           139           140 
      1   0.219174D+01  0.253808D+01  0.626554D+00  0.222975D+01  0.365811D+01
      2   0.253808D+01  0.280603D+01  0.656089D+00  0.365811D+01  0.908946D+01
      3   0.626554D+00  0.656089D+00  0.475813D+00  0.834711D+00  0.192004D+01
               141           142           143           144           145 
      1   0.834711D+00  0.649569D+00  0.948308D+00  0.203775D+00  0.127621D+02
      2   0.192004D+01  0.948308D+00  0.205777D+01  0.388029D+00  0.121486D+01
      3   0.121276D+01  0.203775D+00  0.388029D+00  0.250019D+00  0.953639D+00
               146           147           148           149           150 
      1   0.121486D+01  0.953639D+00  0.115324D+01  0.161652D+01  0.438554D+00
      2   0.843289D+00  0.789569D-01  0.161652D+01  0.459117D+00  0.150780D+00
      3   0.789569D-01  0.889792D+00  0.438554D+00  0.150780D+00  0.148538D+00
               151           152           153           154           155 
      1   0.107497D+01  0.433701D+00 -0.350179D-01  0.475002D+01 -0.376304D+01
      2   0.433701D+00  0.124789D+00  0.161467D-01 -0.376304D+01  0.347476D+01
      3  -0.350179D-01  0.161467D-01  0.121153D+00 -0.574431D+00  0.445281D+00
               156           157           158           159           160 
      1  -0.574431D+00 -0.364008D+01  0.434179D+01  0.800713D+00 -0.532955D+00
      2   0.445281D+00  0.434179D+01 -0.643823D+01 -0.104462D+01  0.660677D+00
      3   0.565085D+00  0.800713D+00 -0.104462D+01 -0.853823D+00  0.103349D+00
               161           162           163           164           165 
      1   0.660677D+00  0.103349D+00 -0.151827D+01 -0.174195D+01 -0.473059D+00
      2  -0.123927D+01 -0.129034D+00 -0.174195D+01 -0.216557D+01 -0.588647D+00
      3  -0.129034D+00 -0.136678D+00 -0.473059D+00 -0.588647D+00 -0.339300D+00
               166           167           168           169           170 
      1  -0.154035D+01 -0.203794D+01 -0.488732D+00 -0.508338D+00 -0.671440D+00
      2  -0.203794D+01 -0.809194D+01 -0.186396D+01 -0.671440D+00 -0.199570D+01
      3  -0.488732D+00 -0.186396D+01 -0.120645D+01 -0.703520D-01 -0.491405D+00
               171 
      1  -0.703520D-01
      2  -0.491405D+00
      3  -0.293317D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.298719D+00  0.291432D+01  0.258625D+01  0.317810D+00 -0.333045D+01
      2  -0.401401D+01 -0.370859D+01  0.134268D+02 -0.380788D+00  0.800925D+00
      3   0.381908D+01 -0.101948D+02  0.546036D+01 -0.286425D+01  0.541426D+01
                 6             7             8             9            10 
      1  -0.252503D+01 -0.128278D+01  0.431144D+01 -0.520465D+01 -0.123919D+01
      2   0.107078D+01  0.543513D+01  0.377562D+01 -0.107701D+02  0.389451D+01
      3  -0.283252D+01  0.296052D+01  0.918418D+00 -0.370080D+01 -0.228542D+01
                11            12            13            14            15 
      1  -0.522465D+00  0.928381D-01  0.172181D+01  0.347044D+01 -0.606034D+00
      2   0.186056D+01 -0.342626D+01  0.669475D+00 -0.770875D+01 -0.231605D+01
      3   0.141158D+01 -0.622009D+00  0.123449D+02  0.495609D+01  0.941880D+01
                16            17            18            19            20 
      1   0.368593D+01  0.270342D+01 -0.102230D+01 -0.112011D+00 -0.518489D+00
      2  -0.160442D+02 -0.487404D+01  0.313362D+01  0.521262D+01  0.209573D+01
      3   0.237971D+00  0.921053D+01  0.936818D+00  0.219098D+01  0.210855D+01
                21            22            23            24            25 
      1  -0.200758D+01 -0.186706D+00 -0.169886D+00 -0.126145D+01 -0.609574D+00
      2  -0.622645D+01  0.459449D+00  0.247637D+01 -0.389259D+01 -0.504934D+01
      3  -0.294335D+01  0.166854D+01  0.270108D+01 -0.259415D+01 -0.124248D+01
                26            27            28            29            30 
      1   0.102645D+01  0.458621D+01 -0.441657D+00 -0.133232D+00 -0.106233D+01
      2  -0.555237D+01  0.167546D+02  0.847974D+00  0.378568D+00  0.247605D+01
      3  -0.355607D+01  0.766309D+01 -0.326274D+01 -0.252527D+01 -0.477996D+00
                31            32            33            34            35 
      1  -0.395780D+00  0.750565D+00 -0.351287D+01 -0.737745D+00  0.641358D+00
      2  -0.341681D+00  0.391649D+01  0.447866D+01  0.587473D+00  0.276764D+01
      3   0.127223D+01 -0.115918D+02 -0.458439D+01  0.247031D+00 -0.465376D+01
                36            37            38            39            40 
      1  -0.217943D+01  0.288414D+01 -0.327789D+01 -0.524913D+00 -0.133505D+00
      2   0.355084D+01 -0.130507D+02 -0.456214D+01  0.112474D+02 -0.374313D+01
      3  -0.295565D+01  0.108555D+01 -0.951942D+01  0.152971D+01 -0.245210D+01
                41            42            43            44            45 
      1  -0.242705D+01 -0.100150D+02 -0.193968D+01 -0.487376D+01  0.398627D-01
      2   0.139978D+02  0.879514D+00  0.681687D+01  0.233052D+01  0.697835D+00
      3  -0.919513D-01 -0.142833D+02 -0.270067D+00 -0.130930D+02 -0.146929D+00
                46            47            48            49            50 
      1  -0.756170D+00  0.323529D-01  0.114789D+00 -0.119845D+01 -0.363227D+01
      2  -0.405826D+01 -0.923589D+00 -0.100084D+01 -0.121985D+01  0.747579D+00
      3   0.103984D+01  0.600633D+01  0.119962D+01  0.174191D+02  0.160952D+01
                51            52            53            54            55 
      1   0.137028D+01 -0.597117D+00  0.105048D+02  0.265312D+01 -0.968919D+00
      2   0.482954D+00 -0.148320D+02  0.640417D+00 -0.764742D+00  0.101984D+02
      3  -0.140663D+01  0.106231D+00 -0.712396D+00  0.176308D+00  0.267434D+01
                56            57            58            59            60 
      1  -0.194080D+01 -0.117476D+01 -0.153068D+01 -0.181803D+00 -0.190495D+00
      2   0.128124D+01  0.628764D+01  0.142700D+01 -0.414173D+00  0.887610D+00
      3  -0.586453D+01 -0.235146D+00 -0.197494D+01 -0.102831D+01  0.158436D+01
                61            62            63            64            65 
      1  -0.496773D+00  0.966035D+00 -0.252197D+00  0.156094D+01  0.133704D+01
      2   0.126367D+01  0.143296D+00  0.124143D+01 -0.147983D+01 -0.121157D+01
      3  -0.113968D+00  0.123400D+01  0.342096D+00  0.267962D+01  0.117616D+01
                66            67            68            69            70 
      1   0.148493D+00  0.490004D+00  0.788156D+01  0.307909D+01 -0.223216D+00
      2  -0.198820D+01 -0.170244D+01 -0.711004D+01 -0.756805D+01 -0.212617D+01
      3   0.203385D+00  0.210802D+01  0.107091D+02  0.691443D+01 -0.403059D+00
                71            72            73            74            75 
      1   0.555301D+01  0.357452D+01 -0.127775D+01  0.207202D+01  0.492913D+00
      2  -0.421830D+01 -0.767030D+01 -0.283274D+01  0.294870D+01 -0.334160D+01
      3   0.592309D+01  0.456612D+01 -0.359458D+01  0.366082D+01 -0.214451D+01
                76            77            78            79            80 
      1   0.102232D+01 -0.472643D+01  0.235914D+00  0.205285D+00  0.363108D+01
      2   0.315307D+01 -0.760938D+01  0.638451D+01 -0.331797D+01  0.479818D+01
      3   0.428687D+01 -0.102384D+02  0.678609D+01 -0.119317D+01  0.568439D+01
                81            82            83            84            85 
      1  -0.277595D+00 -0.259191D+00 -0.487097D+00  0.342168D+01 -0.100297D+01
      2  -0.718929D+01  0.199485D+01  0.318638D+00 -0.163527D+01  0.380071D+01
      3  -0.496143D+01 -0.430665D+00  0.108313D+01  0.747252D+00  0.225554D+01
                86            87            88            89            90 
      1   0.344927D+00 -0.241214D+01  0.713852D+01  0.315540D+01  0.495197D+00
      2   0.735466D+00  0.650510D+00 -0.119712D+02 -0.254883D+00  0.393305D+00
      3  -0.704025D+01  0.728337D+00 -0.133757D+01  0.108903D+00 -0.580803D+01
                91            92            93            94            95 
      1  -0.249358D-01  0.106191D+01 -0.235014D+01  0.154619D+01  0.127431D+00
      2  -0.689626D+00  0.249905D+01  0.299385D+00  0.127507D+01 -0.317311D+01
      3   0.311055D+01 -0.131857D+02 -0.229203D+01  0.309870D+01 -0.126774D+01
                96            97            98            99           100 
      1  -0.375802D+01 -0.504473D+01  0.830302D+00 -0.121665D+01  0.320881D+00
      2   0.578577D+01 -0.808741D+01  0.902875D+01  0.407427D+01  0.295648D+00
      3   0.181270D+01 -0.500424D+00  0.229890D+01 -0.454940D+01 -0.268205D+01
               101           102           103           104           105 
      1  -0.535318D+00 -0.115465D+01 -0.122244D+01 -0.279294D+01  0.252656D+01
      2  -0.517604D+00  0.871879D+01 -0.470553D+01  0.510682D-01  0.112853D+01
      3  -0.732614D+01  0.321483D+00  0.116802D+02 -0.189417D+01  0.127569D+01
               106           107           108           109           110 
      1  -0.217399D+01  0.111017D+02  0.282631D+01 -0.247908D+00 -0.953585D+00
      2   0.798583D+01  0.209562D+01  0.254449D+01 -0.953029D+00  0.164122D+01
      3   0.390596D+01  0.897090D+00 -0.628310D+00  0.380759D+01 -0.107096D+02
               111           112           113           114           115 
      1   0.329429D+01 -0.132349D+01 -0.786055D-01 -0.229550D+01  0.693777D+01
      2   0.278035D+01 -0.731779D+00  0.340138D+01 -0.641613D+01 -0.376115D+01
      3  -0.185867D+01  0.695953D+01  0.183044D+01 -0.217563D+01  0.822450D-02
               116           117           118           119           120 
      1   0.348928D+01  0.105565D+01  0.642975D-01  0.139134D+01 -0.259809D+01
      2  -0.994690D+01 -0.436848D+01  0.344706D+01  0.158340D+01 -0.150420D+01
      3  -0.332399D+01  0.416145D+01 -0.558239D+01 -0.279030D+01 -0.221373D+01
               121           122           123           124           125 
      1   0.110005D+01  0.991177D+00 -0.298352D+01 -0.497953D+01  0.962488D+00
      2   0.137791D+01 -0.732700D+00 -0.132689D+01 -0.131811D+02 -0.138704D+01
      3   0.336812D+01  0.678069D+01  0.125298D+00 -0.187039D+01 -0.398873D+00
               126           127           128           129           130 
      1  -0.968195D+00  0.200224D+00 -0.531733D+00  0.219046D+01  0.243303D+00
      2  -0.241968D+01  0.160732D+01 -0.716405D+00  0.797048D+00 -0.712330D+00
      3   0.518034D+01 -0.883383D+01  0.337774D+01  0.293715D+00  0.643881D+01
               131           132           133           134           135 
      1  -0.474416D-01 -0.308456D+01 -0.750673D-01  0.193815D+01 -0.143195D+00
      2   0.107642D+01 -0.114912D+01 -0.164924D+01  0.395448D+00 -0.253501D+00
      3  -0.488280D+01 -0.121223D+01 -0.222321D+00 -0.891877D+00 -0.189080D+00
               136           137           138           139           140 
      1  -0.157858D+00  0.825795D-01 -0.162864D+01 -0.157053D+00  0.475575D+00
      2   0.238513D+00  0.570104D+00  0.162141D+01  0.494834D+00  0.272601D+01
      3  -0.704800D+00 -0.261487D+01 -0.435129D+00 -0.111995D+01 -0.131017D+02
               141           142           143           144           145 
      1  -0.431140D+01  0.597528D+00  0.201126D+01 -0.559543D+00 -0.957017D-01
      2   0.316667D+01 -0.690117D+00 -0.357551D-01  0.644007D+00  0.107316D+01
      3  -0.250545D+01 -0.334054D+00 -0.299980D+01 -0.520244D+00 -0.624858D+00
               146           147           148           149           150 
      1   0.353737D+00 -0.581195D+00  0.468136D-01  0.331722D-01 -0.474884D+00
      2  -0.757064D-02  0.605520D+01  0.151892D+01  0.341555D+00  0.827195D+00
      3  -0.532283D+01  0.431194D-01 -0.372944D+01 -0.135875D+01 -0.382365D+00
               151           152           153           154           155 
      1   0.397796D+00  0.563180D+00 -0.227100D-01  0.140459D+00 -0.519485D+00
      2  -0.295961D+01 -0.189350D+00  0.403610D+00  0.759767D-02  0.712888D-01
      3  -0.121246D+01 -0.702725D+00 -0.616864D-02  0.134091D+01 -0.474470D+01
               156           157           158           159           160 
      1   0.217673D+01  0.287437D+00  0.157805D+00 -0.331292D+01 -0.886810D+00
      2   0.276721D+01  0.801367D+00 -0.146699D+01 -0.328174D+01 -0.946580D+00
      3  -0.225565D+00 -0.311636D+01  0.106955D+02  0.134889D+01 -0.927054D+00
               161           162           163           164           165 
      1   0.167767D+01 -0.300981D+00  0.111626D+00  0.174792D+00 -0.143613D+01
      2   0.587695D+00 -0.372433D+00 -0.146937D+01 -0.107108D+01  0.230132D+00
      3   0.211495D+01  0.103087D+00  0.586039D+01  0.350009D+01  0.111827D+01
               166           167           168           169           170 
      1   0.105296D+00  0.624266D+00 -0.405253D+01  0.476673D+00  0.228051D+01
      2  -0.144028D+01 -0.205598D+01  0.207855D+00 -0.192230D+01 -0.498338D+00
      3   0.680588D+01  0.819304D+01  0.225275D+01  0.216108D+01  0.194219D+01
               171 
      1  -0.552214D+00
      2   0.999543D-01
      3   0.336730D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.277160D+02 -0.195369D+01 -0.223264D+01 -0.896930D+01  0.296886D+01
      2  -0.156393D+02 -0.141007D+01 -0.621575D+01  0.399144D+01  0.766101D+01
      3  -0.120766D+02  0.336376D+01  0.844840D+01  0.497786D+01 -0.106299D+02
      4  -0.149895D+02  0.164387D+02 -0.717423D+01  0.199143D+02 -0.119410D+02
      5   0.124215D+02 -0.838030D+01  0.238440D+02 -0.120784D+02  0.956942D+01
      6  -0.477631D+01  0.445594D+01 -0.680891D+01  0.753481D+01 -0.367205D+01
                 6             7             8             9            10 
      1  -0.613270D+01 -0.141593D+01 -0.326812D+01  0.183237D+02  0.427674D+01
      2   0.293738D+01 -0.309234D+01 -0.204920D+01 -0.517048D+01  0.119412D+01
      3   0.319532D+01  0.450826D+01  0.531732D+01 -0.131532D+02 -0.547086D+01
      4   0.939847D+01 -0.614983D+01  0.394486D+00 -0.171798D+01  0.372449D+01
      5  -0.461427D+01  0.200579D+02 -0.277032D+00 -0.551767D+01  0.546091D+01
      6   0.549432D+01 -0.400691D+01  0.201295D+01  0.427415D+01  0.265477D+01
                11            12            13            14            15 
      1   0.166135D+01 -0.246418D+01  0.107987D+02  0.180390D+01  0.713432D+01
      2   0.159484D+00 -0.224136D+01 -0.812977D+01 -0.881000D+01 -0.128095D+02
      3  -0.182083D+01  0.470554D+01 -0.266897D+01  0.700610D+01  0.567522D+01
      4  -0.110786D+02  0.474288D+01 -0.170509D+02 -0.154134D+02 -0.198247D+02
      5   0.489904D+01 -0.174002D+02  0.131361D+02 -0.187631D+02 -0.159397D+01
      6  -0.631607D+00 -0.167676D+00 -0.775397D+01 -0.942491D+01 -0.645263D+01
                16            17            18            19            20 
      1   0.588588D+01  0.688625D+01 -0.762865D+01 -0.327293D+01 -0.341947D+01
      2  -0.105648D+02 -0.582850D+01  0.887888D+01  0.548885D+00  0.472671D+00
      3   0.467891D+01 -0.105774D+01 -0.125023D+01  0.272404D+01  0.294680D+01
      4   0.115276D+02 -0.145828D+02 -0.784971D+01  0.415289D+00 -0.253730D+01
      5  -0.324170D+02 -0.761025D+01  0.651563D+01  0.115223D+01  0.207465D+01
      6  -0.575066D+01 -0.795201D+01  0.177059D+01 -0.662806D+00 -0.247095D+01
                21            22            23            24            25 
      1   0.102497D+02 -0.169792D+01 -0.486859D+01  0.493418D+01  0.705105D+01
      2   0.462412D+00  0.261023D+00  0.203240D+01 -0.114065D+01 -0.266812D+01
      3  -0.107121D+02  0.143689D+01  0.283619D+01 -0.379353D+01 -0.438293D+01
      4   0.125632D+01  0.230009D+01 -0.436375D+01  0.348160D+01 -0.236432D+01
      5  -0.577467D+01 -0.470161D+00  0.339862D+01 -0.536068D+01  0.373614D+01
      6   0.447590D+01 -0.197754D+00 -0.403304D+01  0.731336D+01  0.916733D+00
                26            27            28            29            30 
      1   0.616467D+01 -0.207309D+02  0.300897D+01  0.311296D+01  0.238444D+01
      2   0.329890D+00 -0.690121D+01  0.530474D+00 -0.228578D+00 -0.293889D+00
      3  -0.649456D+01  0.276321D+02 -0.353944D+01 -0.288438D+01 -0.209055D+01
      4   0.463253D+01 -0.628007D+01  0.846598D+01  0.100835D+02  0.330995D+01
      5  -0.753442D+01  0.231400D+02  0.380679D+01  0.332212D+01  0.720789D+01
      6   0.680846D+01 -0.123260D+02  0.400786D+01  0.183891D+01  0.158646D+01
                31            32            33            34            35 
      1   0.177077D+01 -0.964423D+01 -0.468990D+01  0.758054D+00 -0.515179D+01
      2   0.232847D+01  0.174661D+02  0.567939D+01  0.863506D+00  0.422999D+01
      3  -0.409924D+01 -0.782186D+01 -0.989485D+00 -0.162156D+01  0.921794D+00
      4   0.132407D+02  0.265994D+02  0.100742D+02  0.474839D+01  0.106408D+02
      5   0.402594D+01  0.985858D+01  0.102276D+02  0.890661D+01  0.827542D+01
      6   0.406455D+01  0.140266D+02  0.962056D+01  0.389755D+01  0.109979D+02
                36            37            38            39            40 
      1  -0.444632D+01 -0.563791D+02 -0.134877D+02  0.819940D+01 -0.128535D+02
      2   0.755508D+00  0.233934D+02  0.788319D+01  0.853686D+00  0.699402D+01
      3   0.369081D+01  0.329857D+02  0.560449D+01 -0.905309D+01  0.585944D+01
      4   0.868100D+01 -0.172496D+02  0.871475D+01 -0.282945D+01  0.744792D+01
      5   0.864460D+01  0.105691D+02 -0.467251D+00  0.147293D+02 -0.257628D+01
      6   0.889655D+01  0.341598D+01 -0.702554D+01  0.375527D+01 -0.277571D+01
                41            42            43            44            45 
      1   0.188324D+02 -0.410368D+01 -0.486181D+01 -0.648755D+01  0.138931D+02
      2  -0.388214D+01  0.941497D+01  0.121537D+02  0.910469D+01 -0.140619D+02
      3  -0.149502D+02 -0.531129D+01 -0.729188D+01 -0.261714D+01  0.168814D+00
      4   0.500844D+01  0.192968D+02 -0.822085D+01  0.159248D+02  0.792277D+01
      5   0.145358D+02  0.563386D+01  0.259804D+02  0.775164D+01 -0.125239D+02
      6   0.194799D+01 -0.131668D+02  0.689931D+01 -0.967503D+01 -0.306143D+01
                46            47            48            49            50 
      1  -0.162030D+02 -0.283946D+01 -0.337350D+01  0.324229D+01 -0.774635D+01
      2   0.279533D+01  0.182077D+01 -0.108799D+01 -0.460925D+01  0.141514D+02
      3   0.134077D+02  0.101869D+01  0.446149D+01  0.136696D+01 -0.640505D+01
      4   0.228979D+01  0.424198D+01 -0.110518D+01 -0.101774D+02 -0.151426D+01
      5  -0.686788D+01 -0.156733D+01  0.239035D+01 -0.445382D+01  0.141039D+01
      6  -0.378907D+01  0.644919D+00  0.773804D+00 -0.309974D+01  0.560081D+01
                51            52            53            54            55 
      1  -0.661960D+00 -0.619701D+01 -0.183561D+01 -0.825986D+01  0.866522D+02
      2   0.658610D+01 -0.118656D+01  0.383034D+01 -0.384672D+01 -0.436112D+02
      3  -0.592414D+01  0.738357D+01 -0.199473D+01  0.121066D+02 -0.430410D+02
      4   0.118438D+01 -0.516776D+01  0.225602D+01  0.155180D+01  0.207949D+02
      5   0.582262D+00  0.614461D+01  0.117319D+01 -0.801705D+00 -0.276541D+02
      6  -0.264066D+01  0.430744D+00  0.684731D+01 -0.319382D+01 -0.405808D+01
                56            57            58            59            60 
      1   0.882658D+01 -0.495185D+01  0.801979D+01  0.555790D+01  0.398726D+00
      2  -0.275262D+01  0.622513D+01 -0.231302D+01 -0.197228D+01 -0.191889D+00
      3  -0.607397D+01 -0.127328D+01 -0.570677D+01 -0.358562D+01 -0.206837D+00
      4   0.132277D+02 -0.203213D+01  0.136832D+02  0.505269D+01 -0.285276D+01
      5  -0.339214D+01  0.142612D+02 -0.295608D+01 -0.381150D+01  0.170129D+01
      6  -0.330226D+01  0.228545D+01 -0.240924D+01 -0.129582D+01  0.302441D+01
                61            62            63            64            65 
      1   0.683555D+01  0.137632D+01  0.462224D+01  0.387430D+01 -0.228345D+01
      2  -0.124191D+01 -0.537593D+00 -0.311631D+01 -0.208448D+01  0.110811D+01
      3  -0.559364D+01 -0.838729D+00 -0.150592D+01 -0.178981D+01  0.117534D+01
      4   0.219322D+01 -0.356255D+00  0.130613D+01 -0.138385D+01 -0.394443D+00
      5   0.739657D+01  0.629960D+00 -0.215462D+00 -0.155404D+01  0.164701D+01
      6   0.115058D+01  0.198702D+01  0.465298D-01  0.212247D+01  0.177628D+01
                66            67            68            69            70 
      1  -0.467334D+01 -0.614066D+01 -0.846171D+01 -0.562544D+01 -0.339642D+01
      2   0.132839D+00  0.429990D+01  0.151838D+01 -0.539211D+01  0.225832D+01
      3   0.454050D+01  0.184076D+01  0.694332D+01  0.110176D+02  0.113809D+01
      4   0.282495D+00  0.273623D+01 -0.184580D+02 -0.119948D+02  0.148511D+01
      5  -0.861664D+00  0.779959D+01 -0.997848D+01 -0.143169D+02  0.431407D+01
      6   0.150844D+00 -0.615593D+00  0.129676D+02  0.105540D+02 -0.725289D+00
                71            72            73            74            75 
      1  -0.411770D+01 -0.977568D+01 -0.272654D+00  0.827601D+01 -0.749793D+01
      2  -0.411754D+01 -0.542163D+01  0.812395D+00 -0.527166D+01  0.133293D+01
      3   0.823524D+01  0.151973D+02 -0.539741D+00 -0.300435D+01  0.616500D+01
      4  -0.103488D+02 -0.810176D+01  0.188790D+01 -0.239187D+01  0.135373D+01
      5  -0.686576D+01 -0.127550D+02  0.120807D+00 -0.270344D+00 -0.241809D+01
      6   0.977508D+01  0.757266D+01 -0.338235D+01  0.554836D+01 -0.467141D+01
                76            77            78            79            80 
      1   0.831565D+01 -0.174412D+02  0.117311D+02 -0.386009D+01  0.971496D+01
      2  -0.464385D+01  0.138644D+02 -0.392473D+01  0.997172D+00 -0.294629D+01
      3  -0.367180D+01  0.357681D+01 -0.780637D+01  0.286292D+01 -0.676866D+01
      4   0.301543D+01  0.154215D+02 -0.105640D+02 -0.364494D+00 -0.873464D+01
      5  -0.444945D+01 -0.794856D+01  0.847877D+01  0.272774D+01  0.526362D+01
      6   0.974767D+00 -0.169995D+02  0.146360D+02 -0.137499D+01  0.128804D+02
                81            82            83            84            85 
      1  -0.140549D+02 -0.288420D+00  0.182360D+02  0.463741D+01 -0.470966D+01
      2   0.719107D+00 -0.580380D+00 -0.130303D+02  0.855789D+00  0.135247D+02
      3   0.133358D+02  0.868800D+00 -0.520570D+01 -0.549320D+01 -0.881500D+01
      4   0.603184D+01  0.107884D+02 -0.127340D+02 -0.669874D+00  0.362699D+01
      5  -0.876958D+01  0.283161D+01 -0.119432D+01 -0.279084D+01  0.290364D+01
      6  -0.117906D+02  0.230633D+01 -0.858206D+00 -0.700170D+01  0.799793D+01
                86            87            88            89            90 
      1   0.124856D+01  0.491133D+01 -0.176040D+01  0.557016D+01 -0.142417D+02
      2  -0.499161D+01 -0.299583D+01  0.713097D+01 -0.725233D+01  0.196638D+01
      3   0.374305D+01 -0.191550D+01 -0.537057D+01  0.168217D+01  0.122753D+02
      4   0.137871D+02  0.277047D+01  0.313249D+01  0.747892D+00  0.315306D+01
      5   0.259845D+01 -0.713728D+00  0.269154D+01  0.208538D+01 -0.739564D+00
      6  -0.548657D+01  0.557344D+01 -0.366021D+01  0.115722D+02 -0.204476D+00
                91            92            93            94            95 
      1   0.821715D+01 -0.229389D+02 -0.262609D+01  0.220292D+02  0.112507D+02
      2  -0.786432D+01  0.155131D+02  0.544093D+00 -0.194621D+02 -0.146773D+02
      3  -0.352834D+00  0.742579D+01  0.208200D+01 -0.256716D+01  0.342659D+01
      4  -0.152642D+02 -0.512299D+01 -0.310859D+01  0.122987D+02 -0.160765D+01
      5  -0.526694D+01 -0.184364D+01 -0.231817D+01  0.183844D+00 -0.675228D+01
      6  -0.416196D+01 -0.161410D+01  0.493147D+01 -0.507040D+01 -0.106724D+02
                96            97            98            99           100 
      1   0.302974D+01  0.443584D+01  0.286407D+00 -0.589957D+01 -0.852677D+01
      2  -0.686437D+01 -0.736164D+01 -0.827708D+01 -0.481377D+01  0.526762D+01
      3   0.383462D+01  0.292579D+01  0.799068D+01  0.107133D+02  0.325915D+01
      4  -0.631560D+01 -0.322242D+01 -0.897747D+01  0.138728D+02 -0.160135D+01
      5   0.118372D+02  0.128870D+02  0.141744D+02  0.897609D+01 -0.403064D+01
      6   0.645026D+01  0.557008D+01  0.146344D+02  0.338609D+01  0.343711D+00
               101           102           103           104           105 
      1  -0.338517D+01 -0.515099D+01  0.102401D+02 -0.213638D+02 -0.747100D+01
      2   0.264687D+01  0.180816D+01 -0.880282D+01  0.190447D+02  0.101398D+02
      3   0.738302D+00  0.334283D+01 -0.143729D+01  0.231913D+01 -0.266882D+01
      4   0.236492D+02  0.210745D+00 -0.208195D+02 -0.360323D+01 -0.353750D+01
      5  -0.117498D+00  0.198959D+02 -0.124063D+02 -0.134548D+01  0.212915D+01
      6   0.333916D+00  0.245115D+01 -0.300789D+01  0.416381D+01 -0.459934D+01
               106           107           108           109           110 
      1  -0.379203D+01 -0.828425D+01  0.139582D+02 -0.264520D+01  0.243847D+02
      2  -0.504535D+00  0.602285D+01 -0.170228D+02 -0.132959D+01 -0.158519D+02
      3   0.429657D+01  0.226140D+01  0.306464D+01  0.397479D+01 -0.853281D+01
      4  -0.129861D+02 -0.120208D+01  0.215805D+01  0.149086D+02  0.438579D+01
      5   0.356978D+02  0.309854D+01  0.572631D+01 -0.211175D+00  0.915390D+00
      6   0.147451D+01  0.643432D+01 -0.421333D+01  0.778007D+00 -0.150710D+01
               111           112           113           114           115 
      1   0.521697D+01 -0.286273D+02  0.473675D+01  0.110870D+01 -0.842449D+01
      2   0.517550D+00  0.270131D+02 -0.800627D+01 -0.142707D+01  0.100727D+02
      3  -0.573452D+01  0.161426D+01  0.326952D+01  0.318364D+00 -0.164823D+01
      4   0.240069D+01  0.250308D+01  0.884863D+01  0.932522D+01 -0.149157D+01
      5   0.572387D+01 -0.499549D+01  0.788209D+01 -0.132674D+02  0.196226D+02
      6  -0.783564D+01  0.728885D+01 -0.644604D+01  0.494501D+01 -0.650638D+01
               116           117           118           119           120 
      1   0.435126D+01  0.210700D+01  0.122110D+02 -0.119347D+02  0.979460D-01
      2  -0.807347D+01 -0.865689D+01 -0.755596D+01  0.931872D+01 -0.108564D+01
      3   0.372221D+01  0.654989D+01 -0.465507D+01  0.261597D+01  0.987698D+00
      4   0.831397D+01 -0.148095D+02 -0.572864D+01 -0.193595D+02 -0.326503D+01
      5  -0.148566D+02 -0.909439D+01  0.135993D+01 -0.232198D+01 -0.571198D+01
      6   0.125426D+02 -0.378819D+00 -0.158386D+01 -0.185760D+01  0.566195D+01
               121           122           123           124           125 
      1  -0.623749D-01  0.753699D+01  0.393661D+01  0.167338D+01  0.305957D+01
      2  -0.891040D+01 -0.115383D+02 -0.755476D+01 -0.408378D+01 -0.979509D+01
      3   0.897278D+01  0.400133D+01  0.361814D+01  0.241041D+01  0.673552D+01
      4   0.111469D+02 -0.138833D+02 -0.217082D+01 -0.635532D+00 -0.321079D+01
      5  -0.711819D+00 -0.247830D+01 -0.103642D+01  0.369494D+01 -0.569202D+01
      6  -0.516026D+01 -0.995047D+01  0.442947D+01  0.168458D+01  0.132465D+02
               126           127           128           129           130 
      1  -0.156377D+02 -0.467876D+01  0.753889D+01  0.890682D+00  0.813938D+01
      2   0.914678D-01  0.656683D+01 -0.108164D+02 -0.106738D+01 -0.111636D+02
      3   0.155462D+02 -0.188807D+01  0.327748D+01  0.176702D+00  0.302419D+01
      4  -0.696509D+01 -0.857415D+01  0.861863D+01  0.974298D+00  0.805814D+01
      5  -0.404639D+01 -0.878593D+00  0.108098D+01  0.201471D+01  0.135701D+01
      6   0.461250D+01  0.874363D+00 -0.136351D+01 -0.231396D+01 -0.231472D+01
               131           132           133           134           135 
      1  -0.201971D+02 -0.330234D+01  0.144454D+01 -0.327719D+01 -0.541377D+00
      2   0.275003D+02  0.264247D+01 -0.191292D+01  0.396707D+01  0.117854D+01
      3  -0.730317D+01  0.659871D+00  0.468374D+00 -0.689882D+00 -0.637165D+00
      4  -0.896204D+01 -0.100388D+01  0.116171D+01 -0.101052D+01 -0.181560D+01
      5  -0.124678D+01 -0.140028D+01  0.957131D+00 -0.604749D+00 -0.758023D+00
      6   0.442460D+01  0.502016D+01 -0.790242D+00  0.173070D+01  0.137303D+01
               136           137           138           139           140 
      1   0.533391D+01  0.440901D+01  0.827559D+00 -0.696432D+00 -0.150934D+02
      2   0.314937D+01  0.526462D+01  0.418835D+00  0.108925D+02  0.363291D+02
      3  -0.848328D+01 -0.967363D+01 -0.124639D+01 -0.101960D+02 -0.212357D+02
      4   0.179357D+02  0.226758D+02  0.482754D+01  0.236037D+02  0.452145D+02
      5   0.414311D+01  0.483930D+01  0.462506D+01  0.513834D+01  0.911760D+01
      6   0.316692D+01  0.385669D+01  0.275373D+01  0.506567D+01  0.124001D+02
               141           142           143           144           145 
      1  -0.335136D+01  0.225555D+00 -0.275987D+01 -0.158129D+01  0.968170D+02
      2   0.513837D+01  0.188733D+01  0.694659D+01  0.256405D+01 -0.543899D+02
      3  -0.178701D+01 -0.211288D+01 -0.418672D+01 -0.982752D+00 -0.424271D+02
      4   0.920960D+01  0.570063D+01  0.105990D+02  0.319996D+01  0.127021D+02
      5   0.587526D+01  0.196177D+01  0.259167D+01  0.198151D+01  0.963313D+01
      6   0.881356D+01  0.190645D+01  0.420441D+01  0.303254D+01 -0.175188D+01
               146           147           148           149           150 
      1   0.850311D+01  0.610392D+01  0.720618D+01  0.922298D+01  0.185144D+01
      2  -0.415945D+01 -0.414615D+01 -0.319750D+01 -0.413755D+01 -0.156496D+01
      3  -0.434366D+01 -0.195777D+01 -0.400868D+01 -0.508543D+01 -0.286483D+00
      4   0.951698D+01  0.677612D+00  0.151109D+02  0.409392D+01  0.134457D+01
      5   0.720856D+00  0.101196D+02  0.363488D+01  0.150443D+01  0.136318D+01
      6   0.325266D+00  0.545070D+00  0.823753D+00 -0.599012D-01  0.168072D+01
               151           152           153           154           155 
      1   0.779432D+01  0.206311D+01  0.261879D+01  0.209619D+02 -0.131881D+02
      2  -0.424773D+01 -0.109642D+01 -0.154434D+01 -0.343610D+01 -0.143261D+01
      3  -0.354658D+01 -0.966693D+00 -0.107446D+01 -0.175258D+02  0.146208D+02
      4   0.400836D+01  0.152397D+01  0.658793D+00 -0.320719D+02  0.297902D+02
      5   0.187873D+01  0.373326D+00  0.129396D+01 -0.544788D+01  0.392625D+01
      6   0.945383D-01  0.558862D+00  0.517725D+00  0.206904D+01 -0.184049D+01
               156           157           158           159           160 
      1  -0.230114D+01 -0.908760D+01  0.331963D+01  0.674311D+00 -0.641581D+00
      2   0.698814D+00 -0.619849D+01  0.167263D+02  0.822885D+00 -0.135909D+01
      3   0.160233D+01  0.152861D+02 -0.200460D+02 -0.149720D+01  0.200067D+01
      4   0.386361D+01  0.330246D+02 -0.430973D+02 -0.675346D+01  0.515366D+01
      5   0.583238D+01  0.590191D+01 -0.697465D+01 -0.562607D+01  0.191820D+01
      6  -0.298590D+01 -0.373005D+01  0.522282D+01  0.585649D+01 -0.139837D+01
               161           162           163           164           165 
      1  -0.964505D-01 -0.866314D-01 -0.494317D+01 -0.847992D+01 -0.261498D+01
      2   0.284433D+01  0.103175D+01  0.630332D+01  0.102470D+02  0.192724D+01
      3  -0.274788D+01 -0.945115D+00 -0.136015D+01 -0.176705D+01  0.687742D+00
      4  -0.677263D+01 -0.227714D+01  0.372857D+01  0.721588D+01  0.134302D+01
      5  -0.176873D+01 -0.114559D+01  0.953153D+00  0.118761D+01  0.179519D+01
      6   0.204783D+01  0.163117D+01  0.242687D+01  0.369108D+01  0.241409D+01
               166           167           168           169           170 
      1  -0.743641D+01 -0.316225D+02 -0.774435D+01 -0.211510D+01 -0.756645D+01
      2   0.916370D+01  0.416419D+02  0.724905D+01  0.249904D+01  0.932549D+01
      3  -0.172729D+01 -0.100195D+02  0.495293D+00 -0.383940D+00 -0.175904D+01
      4   0.523135D+01 -0.403738D+00 -0.526871D+00  0.149169D+01  0.162490D+00
      5   0.101643D+01 -0.576266D+00  0.101146D+00  0.737490D+00  0.570938D+00
      6   0.292604D+01  0.123449D+02  0.861146D+01  0.966490D+00  0.428642D+01
               171 
      1  -0.274774D+01
      2   0.326119D+01
      3  -0.513445D+00
      4   0.128073D+01
      5   0.630225D+00
      6   0.311323D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 22:55:39 2021, MaxMem=  5368709120 cpu:           19919.4 elap:            2491.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.27401 -10.35329 -10.30764 -10.30467 -10.30393
 Alpha  occ. eigenvalues --  -10.30346 -10.30282 -10.30054 -10.28601  -1.13093
 Alpha  occ. eigenvalues --   -0.96767  -0.88416  -0.85264  -0.82961  -0.73059
 Alpha  occ. eigenvalues --   -0.70712  -0.67649  -0.62360  -0.59803  -0.56314
 Alpha  occ. eigenvalues --   -0.53581  -0.52522  -0.50973  -0.50705  -0.47156
 Alpha  occ. eigenvalues --   -0.46561  -0.45551  -0.44571  -0.42770  -0.40922
 Alpha  occ. eigenvalues --   -0.36995  -0.33568  -0.32610
 Alpha virt. eigenvalues --    0.03421   0.04227   0.04483   0.04861   0.05007
 Alpha virt. eigenvalues --    0.05306   0.05868   0.06138   0.07221   0.07818
 Alpha virt. eigenvalues --    0.08529   0.08960   0.11140   0.11303   0.12798
 Alpha virt. eigenvalues --    0.13369   0.13408   0.13954   0.14411   0.14783
 Alpha virt. eigenvalues --    0.15109   0.15171   0.15713   0.16137   0.16661
 Alpha virt. eigenvalues --    0.17320   0.17654   0.17996   0.18189   0.18781
 Alpha virt. eigenvalues --    0.19409   0.19655   0.20146   0.21071   0.21625
 Alpha virt. eigenvalues --    0.22304   0.23608   0.24656   0.25242   0.25818
 Alpha virt. eigenvalues --    0.25872   0.26952   0.27261   0.28143   0.29139
 Alpha virt. eigenvalues --    0.29636   0.30274   0.30566   0.30979   0.31858
 Alpha virt. eigenvalues --    0.31898   0.32408   0.32875   0.33580   0.33897
 Alpha virt. eigenvalues --    0.34172   0.35601   0.36613   0.37089   0.37218
 Alpha virt. eigenvalues --    0.37900   0.39043   0.39304   0.39845   0.40078
 Alpha virt. eigenvalues --    0.40853   0.41771   0.42688   0.43046   0.44763
 Alpha virt. eigenvalues --    0.45816   0.46261   0.47764   0.48465   0.49320
 Alpha virt. eigenvalues --    0.50016   0.50487   0.51330   0.51842   0.51980
 Alpha virt. eigenvalues --    0.53137   0.53307   0.54000   0.55564   0.55690
 Alpha virt. eigenvalues --    0.56459   0.57672   0.57763   0.58925   0.59798
 Alpha virt. eigenvalues --    0.60416   0.61453   0.62258   0.62554   0.62864
 Alpha virt. eigenvalues --    0.63786   0.64075   0.64780   0.65359   0.66405
 Alpha virt. eigenvalues --    0.67022   0.67651   0.68165   0.69514   0.69606
 Alpha virt. eigenvalues --    0.70605   0.70949   0.71831   0.72866   0.73161
 Alpha virt. eigenvalues --    0.73844   0.74291   0.74655   0.75936   0.76060
 Alpha virt. eigenvalues --    0.76349   0.78178   0.79119   0.79851   0.81338
 Alpha virt. eigenvalues --    0.82149   0.84203   0.85314   0.85432   0.86080
 Alpha virt. eigenvalues --    0.86418   0.86603   0.87319   0.88171   0.88947
 Alpha virt. eigenvalues --    0.90196   0.90791   0.91957   0.93041   0.94337
 Alpha virt. eigenvalues --    0.95585   0.97205   0.98315   0.99255   1.03375
 Alpha virt. eigenvalues --    1.03910   1.04437   1.06023   1.06758   1.08582
 Alpha virt. eigenvalues --    1.10065   1.13097   1.14618   1.16954   1.18640
 Alpha virt. eigenvalues --    1.19125   1.21933   1.23816   1.25097   1.28777
 Alpha virt. eigenvalues --    1.31030   1.37048   1.38278   1.38915   1.39857
 Alpha virt. eigenvalues --    1.41824   1.42522   1.44178   1.45553   1.46174
 Alpha virt. eigenvalues --    1.46716   1.47856   1.48473   1.49896   1.50992
 Alpha virt. eigenvalues --    1.51344   1.53550   1.55335   1.56665   1.57885
 Alpha virt. eigenvalues --    1.58117   1.59712   1.62019   1.62732   1.64074
 Alpha virt. eigenvalues --    1.64986   1.67360   1.67836   1.71152   1.72837
 Alpha virt. eigenvalues --    1.73507   1.74619   1.76204   1.77222   1.78430
 Alpha virt. eigenvalues --    1.79336   1.81050   1.81766   1.82212   1.84033
 Alpha virt. eigenvalues --    1.85410   1.86886   1.88890   1.91439   1.92236
 Alpha virt. eigenvalues --    1.93507   1.94566   1.95016   1.95694   1.98153
 Alpha virt. eigenvalues --    1.99767   2.02886   2.03602   2.04886   2.07669
 Alpha virt. eigenvalues --    2.08079   2.08777   2.11172   2.11993   2.13359
 Alpha virt. eigenvalues --    2.14702   2.16277   2.18515   2.19190   2.20093
 Alpha virt. eigenvalues --    2.21208   2.23947   2.26195   2.28107   2.28296
 Alpha virt. eigenvalues --    2.31778   2.34846   2.37046   2.38063   2.41106
 Alpha virt. eigenvalues --    2.43272   2.46749   2.50875   2.53368   2.57005
 Alpha virt. eigenvalues --    2.59602   2.60740   2.62722   2.64161   2.66120
 Alpha virt. eigenvalues --    2.69207   2.72246   2.76720   2.77557   2.82031
 Alpha virt. eigenvalues --    2.84181   2.88760   2.92591   2.94718   2.97044
 Alpha virt. eigenvalues --    3.08425   3.10145   3.14474   3.16128   3.25946
 Alpha virt. eigenvalues --    3.45498   3.53452   3.56041   3.56638   3.63474
 Alpha virt. eigenvalues --    3.66166   3.72282   4.14360   4.61233
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  O    8.679791  -0.559714   0.212951   0.004059  -0.027373   0.238574
     2  C   -0.559714   9.164256   0.146506  -0.955357   0.326518  -0.860312
     3  H    0.212951   0.146506   0.679314  -0.050155  -0.016058  -0.046526
     4  H    0.004059  -0.955357  -0.050155   2.103685   0.136516   0.326147
     5  C   -0.027373   0.326518  -0.016058   0.136516   4.599734   0.090486
     6  C    0.238574  -0.860312  -0.046526   0.326147   0.090486  16.415693
     7  H   -0.036420   0.080076   0.000255  -0.025360   0.102532   0.262731
     8  H   -0.027998  -0.129600   0.002150   0.096885   0.444338  -0.188017
     9  H    0.084281  -0.036728  -0.003329  -0.080045   0.197679  -0.020668
    10  C    0.146871  -0.629767  -0.061672  -0.101865  -0.483255  -7.185839
    11  C   -0.032873  -0.176547   0.001912  -0.026698   0.254534   4.297893
    12  C    0.003658   0.085856  -0.009323   0.014723  -0.137881  -4.687979
    13  C   -0.010213  -0.144831   0.014962   0.023128   0.182002   3.943338
    14  C   -0.072923  -1.396318   0.023447   0.098837  -0.328532  -8.648144
    15  H   -0.052906   0.066212   0.003386   0.011829   0.066113   0.663210
    16  H   -0.001730   0.032137  -0.001194   0.000930  -0.000489  -0.363409
    17  H    0.000590  -0.011666  -0.000004   0.000404  -0.000954   0.151914
    18  H   -0.000111   0.022331   0.000513   0.003265  -0.001704  -0.335510
    19  H   -0.002265   0.174155   0.002359  -0.079241   0.056369   0.885676
               7          8          9         10         11         12
     1  O   -0.036420  -0.027998   0.084281   0.146871  -0.032873   0.003658
     2  C    0.080076  -0.129600  -0.036728  -0.629767  -0.176547   0.085856
     3  H    0.000255   0.002150  -0.003329  -0.061672   0.001912  -0.009323
     4  H   -0.025360   0.096885  -0.080045  -0.101865  -0.026698   0.014723
     5  C    0.102532   0.444338   0.197679  -0.483255   0.254534  -0.137881
     6  C    0.262731  -0.188017  -0.020668  -7.185839   4.297893  -4.687979
     7  H    1.437138  -0.306741  -0.234656  -0.036706   0.018401  -0.008699
     8  H   -0.306741   1.480927  -0.257695  -0.024010   0.007154   0.004323
     9  H   -0.234656  -0.257695   1.471434   0.042676  -0.012160   0.002992
    10  C   -0.036706  -0.024010   0.042676  18.700716  -6.338309   4.346683
    11  C    0.018401   0.007154  -0.012160  -6.338309  13.774217  -5.078715
    12  C   -0.008699   0.004323   0.002992   4.346683  -5.078715  11.788658
    13  C    0.014125  -0.002554  -0.014549  -4.891539   4.811057  -5.090871
    14  C   -0.092411   0.086748   0.016093   2.804733  -5.375229   4.729514
    15  H    0.003775  -0.030380   0.009665  -1.984952   0.694745  -0.214635
    16  H    0.000531   0.001434  -0.001635   1.088175  -1.562658   0.591883
    17  H   -0.000144   0.000325   0.000205  -0.201779   0.664241  -1.344084
    18  H    0.000915  -0.000810  -0.001600   0.195625  -0.322572   0.635660
    19  H   -0.004779   0.013267  -0.010385  -0.144798   0.152482  -0.252262
              13         14         15         16         17         18
     1  O   -0.010213  -0.072923  -0.052906  -0.001730   0.000590  -0.000111
     2  C   -0.144831  -1.396318   0.066212   0.032137  -0.011666   0.022331
     3  H    0.014962   0.023447   0.003386  -0.001194  -0.000004   0.000513
     4  H    0.023128   0.098837   0.011829   0.000930   0.000404   0.003265
     5  C    0.182002  -0.328532   0.066113  -0.000489  -0.000954  -0.001704
     6  C    3.943338  -8.648144   0.663210  -0.363409   0.151914  -0.335510
     7  H    0.014125  -0.092411   0.003775   0.000531  -0.000144   0.000915
     8  H   -0.002554   0.086748  -0.030380   0.001434   0.000325  -0.000810
     9  H   -0.014549   0.016093   0.009665  -0.001635   0.000205  -0.001600
    10  C   -4.891539   2.804733  -1.984952   1.088175  -0.201779   0.195625
    11  C    4.811057  -5.375229   0.694745  -1.562658   0.664241  -0.322572
    12  C   -5.090871   4.729514  -0.214635   0.591883  -1.344084   0.635660
    13  C   13.455841  -6.086642   0.154141  -0.367901   0.643726  -1.455975
    14  C   -6.086642  20.927314  -0.265190   0.225348  -0.230714   0.905708
    15  H    0.154141  -0.265190   3.004927  -0.177191  -0.022091   0.015410
    16  H   -0.367901   0.225348  -0.177191   2.299271  -0.116775  -0.027273
    17  H    0.643726  -0.230714  -0.022091  -0.116775   2.218741  -0.110294
    18  H   -1.455975   0.905708   0.015410  -0.027273  -0.110294   2.263954
    19  H    0.544690  -2.092681  -0.048205   0.016355  -0.023899  -0.163933
              19
     1  O   -0.002265
     2  C    0.174155
     3  H    0.002359
     4  H   -0.079241
     5  C    0.056369
     6  C    0.885676
     7  H   -0.004779
     8  H    0.013267
     9  H   -0.010385
    10  C   -0.144798
    11  C    0.152482
    12  C   -0.252262
    13  C    0.544690
    14  C   -2.092681
    15  H   -0.048205
    16  H    0.016355
    17  H   -0.023899
    18  H   -0.163933
    19  H    2.839475
 Mulliken charges:
               1
     1  O   -0.546249
     2  C    0.802792
     3  H    0.100506
     4  H   -0.501687
     5  C    0.539426
     6  C    1.060742
     7  H   -0.174563
     8  H   -0.169745
     9  H   -0.151577
    10  C    0.759014
    11  C    0.249125
    12  C    0.620500
    13  C    0.278066
    14  C    0.771042
    15  H   -0.897863
    16  H   -0.635807
    17  H   -0.617741
    18  H   -0.623600
    19  H   -0.862381
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  O   -0.445742
     2  C    0.301106
     5  C    0.043541
     6  C    1.060742
    10  C   -0.138849
    11  C   -0.386683
    12  C    0.002759
    13  C   -0.345534
    14  C   -0.091339
 Electronic spatial extent (au):  <R**2>=           1266.7527
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              1.1031    Y=             -0.7640    Z=             -0.3595  Tot=              1.3891
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -55.5928   YY=            -50.9075   ZZ=            -54.4106
   XY=              2.6053   XZ=             -0.0481   YZ=              0.8691
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -1.9558   YY=              2.7295   ZZ=             -0.7736
   XY=              2.6053   XZ=             -0.0481   YZ=              0.8691
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             18.7534  YYY=              2.3702  ZZZ=            -11.2680  XYY=              1.9974
  XXY=             -7.2737  XXZ=              4.6668  XZZ=            -13.5790  YZZ=              4.0861
  YYZ=             -1.8773  XYZ=              2.3086
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1158.0973 YYYY=           -332.6569 ZZZZ=           -177.6215 XXXY=             16.6373
 XXXZ=             -4.8543 YYYX=             -4.3831 YYYZ=              5.5289 ZZZX=             21.3031
 ZZZY=            -12.4969 XXYY=           -247.2225 XXZZ=           -235.7417 YYZZ=            -88.9004
 XXYZ=              7.2952 YYXZ=              5.1196 ZZXY=             -7.0037
 N-N= 4.256397218681D+02 E-N=-1.748897684952D+03  KE= 3.836937543447D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 22:55:40 2021, MaxMem=  5368709120 cpu:               3.1 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 4.30597404D-01-2.82856063D-01-1.67595774D-01
 Polarizability= 1.19740572D+02 9.78013254D-01 9.74025097D+01
                 3.90203320D-01 5.10432669D+00 6.74324891D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.2700   -0.2705        0.3925    0.3893
 2      0.2700    0.2705       -2.5300   -2.5292      -11.9755  -11.9770
 3     -0.3925   -0.3893       26.8648   26.8653        2.5312    2.5292
 4      2.5300    2.5292       -0.0000    0.0000       -0.3938   -0.3893
 5    -14.8893  -14.8883        0.3938    0.3893       -0.2707   -0.2705
 6     -2.5312   -2.5292        0.2706    0.2705        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.8115    0.8115        1.1678    1.1678
 2      7.5876    7.5876       -0.0000    0.0000        1.1678    1.1678
 3      7.5876    7.5876        0.8115    0.8115       -0.0000    0.0000
 4      0.8115    0.8115       -7.5876   -7.5876      -35.9310  -35.9310
 5     -1.1678   -1.1678       80.5959   80.5959        7.5876    7.5876
 6    -44.6649  -44.6649        1.1678    1.1678       -0.8115   -0.8115
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0022    0.0000        1.0205    1.0820       -1.6276   -1.5570
 2     -1.1083   -1.0820       10.2590   10.1168       48.0855   47.9080
 3      1.4773    1.5570     -107.5277 -107.4612      -10.0416  -10.1168
 4    -10.3841  -10.1168        0.0291    0.0000        1.5085    1.5570
 5     59.4966   59.5532       -1.6511   -1.5570        1.0113    1.0820
 6     10.3154   10.1168       -1.2068   -1.0820       -0.0136    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0108    0.0000       -3.6636   -3.6488       -8.1546   -8.1639
 2      3.7565    3.6488      -46.9794  -46.8839      -28.1445  -27.8704
 3      8.4016    8.1639      -23.2490  -22.9170       46.6575   46.8839
 4     46.7235   46.8839        0.0181    0.0000        8.2748    8.1639
 5     50.9329   50.7874       -8.4575   -8.1639       -3.4964   -3.6488
 6    -46.6595  -46.8839        3.6178    3.6488       -0.0763    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     27.8765   27.9248        7.0504    7.0156       22.6893   22.5650
 2     99.3256   99.6317        3.4496    3.4418       22.9573   22.5650
 3     99.3132   99.6317        7.0075    7.0156       21.6302   21.3064
 4      3.6267    3.5738      -71.7339  -71.7069      -33.5974  -33.4798
 5     -1.0662   -1.2586      -40.2288  -40.0094       71.6547   71.7069
 6     73.7410   73.4892        1.0621    1.2586       -3.1676   -3.5738
 Full mass-weighted force constant matrix:
 Low frequencies ---   -4.8089   -0.4215   -0.0005   -0.0002    0.0002    1.4241
 Low frequencies ---   43.0112  128.5765  208.3018
 Diagonal vibrational polarizability:
       26.4278951       9.1330609      23.0022617
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     43.0060               128.5765               208.3017
 Red. masses --      3.4412                 3.4053                 2.2256
 Frc consts  --      0.0037                 0.0332                 0.0569
 IR Inten    --      0.8160                 0.1614                 0.2897
 RamAct Fr= 1--      3.9253                 4.4546                 0.2562
  Dep-P Fr= 1--      0.7489                 0.7458                 0.2679
  Dep-U Fr= 1--      0.8565                 0.8544                 0.4225
 Alpha2 Fr= 1--      0.0001                 0.0003                 0.0029
 Beta2  Fr= 1--      0.5603                 0.6343                 0.0180
 AlphaG Fr= 1--      0.0006                 0.0007                -0.0015
 Gamma2 Fr= 1--     -0.1787                -0.4423                -0.1054
 Delta2 Fr= 1--     -0.4565                -0.1630                -0.0481
 Raman1 Fr= 1--      15.701                 17.818                  1.025
 ROA1   Fr= 1--     -31.760                -47.676                -11.654
 CID1   Fr= 1--      -2.023                 -2.676                -11.374
 Raman2 Fr= 1--       6.724                  7.612                  0.216
 ROA2   Fr= 1--      -0.636                 -9.311                 -2.145
 CID2   Fr= 1--      -0.095                 -1.223                 -9.907
 Raman3 Fr= 1--      13.447                 15.224                  0.433
 ROA3   Fr= 1--     -31.760                -47.676                -11.654
 CID3   Fr= 1--      -2.362                 -3.132                -26.917
 RC180  Fr= 1--       0.713                  0.709                 -0.155
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.03  -0.14  -0.15    -0.14  -0.05   0.01     0.11   0.09   0.04
     2   6    -0.00  -0.04   0.07    -0.00   0.01  -0.04    -0.01  -0.03  -0.01
     3   1     0.10  -0.27  -0.14    -0.31  -0.10  -0.09     0.17   0.12   0.08
     4   1    -0.00  -0.13   0.23    -0.05  -0.03   0.04    -0.16   0.01  -0.02
     5   6    -0.04   0.23   0.07     0.23   0.07   0.08     0.05   0.07   0.03
     6   6    -0.00  -0.03   0.05    -0.00   0.04  -0.18    -0.01  -0.12  -0.05
     7   1    -0.04   0.23   0.07     0.22  -0.01   0.29    -0.02   0.54   0.10
     8   1    -0.04   0.33  -0.09     0.28   0.12  -0.02     0.48  -0.08   0.13
     9   1    -0.07   0.32   0.23     0.38   0.13   0.07    -0.26  -0.17  -0.11
    10   6    -0.02  -0.05   0.17    -0.00   0.02  -0.11    -0.09  -0.09  -0.05
    11   6    -0.02  -0.03   0.13    -0.01  -0.03   0.08    -0.12   0.01  -0.01
    12   6     0.00   0.01  -0.03    -0.03  -0.05   0.20    -0.05   0.06   0.02
    13   6     0.02   0.04  -0.16    -0.02  -0.02   0.05     0.04   0.03   0.01
    14   6     0.02   0.01  -0.12    -0.01   0.03  -0.14     0.05  -0.08  -0.03
    15   1    -0.04  -0.08   0.29     0.00   0.03  -0.15    -0.16  -0.14  -0.07
    16   1    -0.04  -0.04   0.23    -0.01  -0.05   0.18    -0.19   0.04  -0.00
    17   1     0.00   0.03  -0.07    -0.04  -0.10   0.39    -0.06   0.13   0.06
    18   1     0.04   0.07  -0.29    -0.03  -0.04   0.11     0.10   0.07   0.04
    19   1     0.03   0.03  -0.21    -0.01   0.04  -0.21     0.12  -0.11  -0.03
                      4                      5                      6
                      A                      A                      A
 Frequencies --    252.9601               306.7412               330.7528
 Red. masses --      1.3608                 3.1480                 1.2919
 Frc consts  --      0.0513                 0.1745                 0.0833
 IR Inten    --      4.6172                 2.1068                95.9145
 RamAct Fr= 1--      0.1235                 1.9256                 0.7965
  Dep-P Fr= 1--      0.3433                 0.2107                 0.4656
  Dep-U Fr= 1--      0.5111                 0.3481                 0.6354
 Alpha2 Fr= 1--      0.0011                 0.0254                 0.0046
 Beta2  Fr= 1--      0.0105                 0.1117                 0.0844
 AlphaG Fr= 1--      0.0022                -0.0104                 0.0036
 Gamma2 Fr= 1--     -0.0046                -0.9688                -0.5480
 Delta2 Fr= 1--      0.0238                -0.2514                -0.5116
 Raman1 Fr= 1--       0.494                  7.702                  3.186
 ROA1   Fr= 1--       0.323               -101.051                -68.975
 CID1   Fr= 1--       0.653                -13.119                -21.649
 Raman2 Fr= 1--       0.126                  1.341                  1.012
 ROA2   Fr= 1--      -0.299                -21.240                 -9.058
 CID2   Fr= 1--      -2.370                -15.844                 -8.948
 Raman3 Fr= 1--       0.253                  2.681                  2.024
 ROA3   Fr= 1--       0.323               -101.051                -68.975
 CID3   Fr= 1--       1.278                -37.689                -34.071
 RC180  Fr= 1--       0.022                 -0.304                  0.271
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.07  -0.08  -0.04     0.04   0.01  -0.13     0.04  -0.05  -0.03
     2   6     0.00   0.00   0.01     0.02   0.03  -0.09     0.01  -0.02   0.04
     3   1     0.03   0.02   0.03     0.22   0.12  -0.02     0.69   0.51   0.41
     4   1     0.06  -0.03   0.04     0.04   0.03  -0.09     0.04  -0.04   0.06
     5   6    -0.01  -0.02   0.00     0.25  -0.05  -0.00    -0.01  -0.02   0.04
     6   6     0.00   0.06   0.01    -0.03   0.04   0.03    -0.01   0.02   0.00
     7   1    -0.07   0.51  -0.02     0.23  -0.13   0.26     0.01  -0.11   0.02
     8   1     0.43  -0.27   0.25     0.34  -0.07   0.01    -0.09   0.01   0.02
     9   1    -0.40  -0.37  -0.23     0.45  -0.04  -0.15     0.05   0.03   0.07
    10   6     0.04   0.05   0.02    -0.06   0.01   0.15    -0.01   0.03  -0.05
    11   6     0.05   0.00   0.00    -0.05   0.00   0.04    -0.00   0.01  -0.03
    12   6     0.02  -0.02  -0.00    -0.08   0.01  -0.14    -0.03  -0.02   0.05
    13   6    -0.02  -0.00   0.00    -0.10  -0.03   0.03    -0.04  -0.00  -0.01
    14   6    -0.02   0.04   0.01    -0.09  -0.02   0.14    -0.03   0.02  -0.06
    15   1     0.07   0.07   0.03    -0.06  -0.00   0.23     0.01   0.04  -0.04
    16   1     0.08  -0.01  -0.00    -0.01  -0.02   0.04     0.01   0.01  -0.04
    17   1     0.03  -0.05  -0.00    -0.06   0.02  -0.33    -0.03  -0.05   0.12
    18   1    -0.05  -0.03  -0.00    -0.10  -0.03   0.04    -0.04  -0.01  -0.01
    19   1    -0.05   0.06   0.00    -0.15  -0.01   0.21    -0.05   0.04  -0.09
                      7                      8                      9
                      A                      A                      A
 Frequencies --    365.9565               415.0659               486.0605
 Red. masses --      2.5350                 2.9362                 3.5055
 Frc consts  --      0.2000                 0.2980                 0.4879
 IR Inten    --     38.2350                 0.5618                 5.9583
 RamAct Fr= 1--      2.0297                 0.0213                 2.8556
  Dep-P Fr= 1--      0.3956                 0.6615                 0.1153
  Dep-U Fr= 1--      0.5669                 0.7962                 0.2068
 Alpha2 Fr= 1--      0.0153                 0.0000                 0.0481
 Beta2  Fr= 1--      0.1918                 0.0028                 0.0984
 AlphaG Fr= 1--     -0.0064                -0.0013                -0.0005
 Gamma2 Fr= 1--      0.4600                -0.1748                 0.1224
 Delta2 Fr= 1--      0.0162                -0.0207                -0.0274
 Raman1 Fr= 1--       8.119                  0.085                 11.422
 ROA1   Fr= 1--      44.673                -17.441                 10.876
 CID1   Fr= 1--       5.502               -204.788                  0.952
 Raman2 Fr= 1--       2.301                  0.034                  1.181
 ROA2   Fr= 1--      10.910                 -4.029                  3.157
 CID2   Fr= 1--       4.741               -118.825                  2.672
 Raman3 Fr= 1--       4.603                  0.068                  2.363
 ROA3   Fr= 1--      44.673                -17.441                 10.876
 CID3   Fr= 1--       9.706               -257.195                  4.604
 RC180  Fr= 1--       0.134                  0.592                 -0.586
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.22   0.01  -0.03    -0.01  -0.01  -0.01     0.06  -0.11   0.21
     2   6     0.04   0.00   0.08    -0.01   0.00  -0.00     0.19  -0.12  -0.05
     3   1    -0.20  -0.66  -0.37     0.09   0.09   0.06    -0.17   0.05   0.12
     4   1     0.05  -0.01   0.10    -0.01   0.00   0.00     0.26  -0.11  -0.10
     5   6     0.00  -0.09   0.07    -0.00  -0.00   0.00     0.04   0.09  -0.16
     6   6    -0.01   0.05   0.06    -0.00   0.00  -0.01     0.07   0.07  -0.03
     7   1     0.00  -0.10   0.04    -0.00  -0.00   0.01     0.04   0.30  -0.40
     8   1    -0.01  -0.18   0.20     0.01  -0.00   0.00     0.06   0.23  -0.39
     9   1     0.01  -0.16  -0.04    -0.00  -0.00  -0.00    -0.25   0.16   0.16
    10   6    -0.02   0.08  -0.06     0.02   0.04  -0.21    -0.04   0.10   0.02
    11   6    -0.03   0.03  -0.02    -0.01  -0.05   0.20    -0.04   0.03   0.03
    12   6    -0.08  -0.04   0.07     0.01   0.00  -0.00    -0.12  -0.03  -0.05
    13   6    -0.08  -0.00  -0.06     0.02   0.04  -0.20    -0.08  -0.06   0.00
    14   6    -0.07   0.04  -0.05    -0.01  -0.04   0.21    -0.06   0.00   0.01
    15   1    -0.02   0.10  -0.17     0.03   0.09  -0.42    -0.07   0.07   0.04
    16   1     0.03   0.01  -0.05    -0.03  -0.10   0.45     0.05  -0.02   0.07
    17   1    -0.08  -0.09   0.16     0.01   0.00  -0.01    -0.12  -0.04  -0.09
    18   1    -0.09   0.00  -0.11     0.03   0.09  -0.43    -0.07  -0.05   0.03
    19   1    -0.13   0.08  -0.11    -0.02  -0.10   0.45    -0.18   0.04   0.04
                     10                     11                     12
                      A                      A                      A
 Frequencies --    551.7200               620.3149               637.8217
 Red. masses --      2.9885                 3.9987                 6.3591
 Frc consts  --      0.5360                 0.9066                 1.5242
 IR Inten    --     17.7591                 8.2829                 0.3923
 RamAct Fr= 1--      0.4042                 1.1358                 4.6244
  Dep-P Fr= 1--      0.3162                 0.7019                 0.7371
  Dep-U Fr= 1--      0.4804                 0.8248                 0.8487
 Alpha2 Fr= 1--      0.0039                 0.0010                 0.0010
 Beta2  Fr= 1--      0.0324                 0.1561                 0.6541
 AlphaG Fr= 1--      0.0020                -0.0018                -0.0042
 Gamma2 Fr= 1--      0.0340                 0.2521                 0.0316
 Delta2 Fr= 1--     -0.0173                -0.0147                -0.0088
 Raman1 Fr= 1--       1.617                  4.543                 18.498
 ROA1   Fr= 1--       2.707                 23.734                  2.752
 CID1   Fr= 1--       1.674                  5.224                  0.149
 Raman2 Fr= 1--       0.388                  1.874                  7.849
 ROA2   Fr= 1--       0.953                  6.169                  0.828
 CID2   Fr= 1--       2.455                  3.293                  0.106
 Raman3 Fr= 1--       0.777                  3.747                 15.698
 ROA3   Fr= 1--       2.707                 23.734                  2.752
 CID3   Fr= 1--       3.484                  6.334                  0.175
 RC180  Fr= 1--      -0.039                  0.650                  0.697
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.07   0.01   0.00    -0.12   0.01  -0.08    -0.02   0.03  -0.03
     2   6     0.01  -0.00  -0.07     0.18   0.22   0.11     0.02   0.04   0.02
     3   1    -0.11   0.13   0.00    -0.06   0.10  -0.02     0.01   0.04  -0.01
     4   1     0.09   0.04  -0.15     0.19   0.17   0.20     0.04   0.03   0.03
     5   6     0.08   0.03  -0.09     0.00   0.01   0.02    -0.01   0.00   0.03
     6   6    -0.01  -0.06   0.27     0.19  -0.04   0.01     0.01   0.13   0.03
     7   1     0.06   0.07   0.05     0.05  -0.14  -0.33    -0.00  -0.03  -0.01
     8   1     0.20   0.07  -0.19    -0.31  -0.16   0.38    -0.05  -0.03   0.09
     9   1     0.13   0.07  -0.07    -0.06  -0.13  -0.15    -0.00  -0.02  -0.02
    10   6    -0.01  -0.01   0.05     0.01   0.01   0.00    -0.26   0.18   0.01
    11   6    -0.00   0.02  -0.13    -0.05   0.11   0.02    -0.23  -0.25  -0.06
    12   6    -0.02  -0.04   0.18    -0.19   0.01  -0.01    -0.00  -0.14  -0.04
    13   6     0.02   0.02  -0.14     0.02  -0.10  -0.03     0.29  -0.22  -0.02
    14   6     0.00  -0.02   0.06     0.04  -0.21  -0.04     0.22   0.20   0.05
    15   1    -0.00   0.04  -0.24    -0.19  -0.13  -0.02    -0.16   0.25   0.05
    16   1     0.02   0.09  -0.48     0.03   0.07   0.03    -0.06  -0.33  -0.04
    17   1    -0.03  -0.03   0.21    -0.19   0.02   0.00    -0.06   0.28   0.06
    18   1     0.04   0.10  -0.48     0.21   0.04   0.01     0.18  -0.31  -0.02
    19   1     0.02   0.05  -0.23    -0.05  -0.17  -0.03     0.05   0.27   0.06
                     13                     14                     15
                      A                      A                      A
 Frequencies --    715.5722               778.1706               781.6813
 Red. masses --      1.7378                 2.0553                 3.0939
 Frc consts  --      0.5243                 0.7333                 1.1138
 IR Inten    --     43.1149                22.6151                 5.7145
 RamAct Fr= 1--      0.0600                 3.5469                12.3506
  Dep-P Fr= 1--      0.2797                 0.1883                 0.0178
  Dep-U Fr= 1--      0.4371                 0.3169                 0.0350
 Alpha2 Fr= 1--      0.0007                 0.0497                 0.2632
 Beta2  Fr= 1--      0.0044                 0.1873                 0.0721
 AlphaG Fr= 1--     -0.0005                 0.0136                -0.0421
 Gamma2 Fr= 1--     -0.0425                 0.4405                 0.2698
 Delta2 Fr= 1--     -0.0046                -0.0574                 0.2730
 Raman1 Fr= 1--       0.240                 14.187                 49.403
 ROA1   Fr= 1--      -4.230                 40.445                 34.635
 CID1   Fr= 1--     -17.616                  2.851                  0.701
 Raman2 Fr= 1--       0.052                  2.248                  0.865
 ROA2   Fr= 1--      -0.984                 11.030                  4.290
 CID2   Fr= 1--     -18.752                  4.907                  4.959
 Raman3 Fr= 1--       0.105                  4.496                  1.730
 ROA3   Fr= 1--      -4.230                 40.445                 34.635
 CID3   Fr= 1--     -40.298                  8.996                 20.017
 RC180  Fr= 1--      -0.126                 -0.366                 -0.930
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.01  -0.00   0.00    -0.02   0.03  -0.01     0.01   0.04  -0.02
     2   6     0.00  -0.00   0.00    -0.07  -0.06  -0.04    -0.12  -0.13  -0.08
     3   1    -0.00  -0.02  -0.01    -0.02   0.01  -0.02     0.04  -0.02  -0.01
     4   1    -0.02  -0.00   0.02    -0.01   0.00  -0.14    -0.17  -0.06  -0.16
     5   6    -0.00   0.00  -0.00    -0.02  -0.02  -0.01    -0.08  -0.04   0.09
     6   6     0.00   0.02  -0.10     0.02  -0.03   0.18     0.07   0.04  -0.14
     7   1     0.00  -0.01  -0.03    -0.06   0.04   0.28    -0.13   0.06   0.37
     8   1    -0.03  -0.01   0.02     0.18   0.05  -0.17     0.13   0.06  -0.14
     9   1    -0.02  -0.01   0.00     0.08   0.06   0.04    -0.03   0.06   0.22
    10   6    -0.01  -0.02   0.07     0.02   0.08  -0.06     0.03   0.13   0.09
    11   6     0.01   0.03  -0.14     0.03   0.07   0.03     0.07   0.15   0.02
    12   6    -0.00  -0.01   0.07    -0.05   0.02  -0.12    -0.12  -0.04   0.08
    13   6     0.01   0.03  -0.14     0.03  -0.06  -0.01     0.07  -0.11  -0.03
    14   6    -0.01  -0.01   0.07     0.03  -0.03  -0.09     0.05  -0.09   0.04
    15   1    -0.03  -0.09   0.47    -0.01   0.04   0.01    -0.02   0.11   0.01
    16   1    -0.02  -0.05   0.20     0.09  -0.06   0.46     0.29   0.14  -0.31
    17   1    -0.03  -0.12   0.56    -0.09  -0.12   0.47    -0.08   0.02  -0.36
    18   1    -0.02  -0.05   0.22     0.07  -0.11   0.49     0.22   0.05  -0.32
    19   1    -0.04  -0.11   0.51    -0.02  -0.04   0.04    -0.03  -0.04  -0.01
                     16                     17                     18
                      A                      A                      A
 Frequencies --    862.7160               917.7069               931.9910
 Red. masses --      1.2479                 2.1663                 1.4618
 Frc consts  --      0.5472                 1.0749                 0.7481
 IR Inten    --      0.1457                 9.8239                 6.9443
 RamAct Fr= 1--      1.9418                 3.5988                 1.6782
  Dep-P Fr= 1--      0.7352                 0.6731                 0.5839
  Dep-U Fr= 1--      0.8474                 0.8046                 0.7373
 Alpha2 Fr= 1--      0.0005                 0.0049                 0.0052
 Beta2  Fr= 1--      0.2742                 0.4826                 0.2062
 AlphaG Fr= 1--      0.0009                -0.0105                -0.0010
 Gamma2 Fr= 1--     -0.1420                 0.1554                -1.5305
 Delta2 Fr= 1--     -0.0375                -0.3818                 0.0591
 Raman1 Fr= 1--       7.767                 14.395                  6.713
 ROA1   Fr= 1--     -14.831                  2.701               -145.038
 CID1   Fr= 1--      -1.909                  0.188                -21.606
 Raman2 Fr= 1--       3.291                  5.791                  2.475
 ROA2   Fr= 1--      -3.108                  6.785                -37.205
 CID2   Fr= 1--      -0.945                  1.172                -15.034
 Raman3 Fr= 1--       6.582                 11.582                  4.950
 ROA3   Fr= 1--     -14.831                  2.701               -145.038
 CID3   Fr= 1--      -2.253                  0.233                -29.303
 RC180  Fr= 1--       0.695                  0.609                  0.475
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00  -0.00   0.00    -0.06   0.11  -0.09     0.02  -0.04   0.03
     2   6    -0.01   0.00  -0.01     0.15  -0.08  -0.03    -0.03   0.02  -0.01
     3   1    -0.01  -0.01  -0.01    -0.06   0.11  -0.09     0.02  -0.00   0.03
     4   1    -0.01  -0.01   0.01     0.22   0.04  -0.22    -0.10  -0.03   0.08
     5   6    -0.00   0.00   0.00     0.00  -0.10   0.15    -0.00   0.03  -0.01
     6   6    -0.00   0.00  -0.00     0.04   0.01  -0.01    -0.01   0.01  -0.07
     7   1    -0.00  -0.00   0.01    -0.02   0.19  -0.09     0.01  -0.06  -0.03
     8   1    -0.00  -0.00   0.01    -0.02   0.13  -0.19    -0.06  -0.04   0.11
     9   1     0.01   0.00  -0.01    -0.35   0.05   0.64     0.05  -0.03  -0.14
    10   6     0.00   0.01  -0.06    -0.01  -0.04   0.02    -0.00  -0.00   0.08
    11   6     0.01   0.02  -0.08    -0.02  -0.05  -0.01     0.01   0.01   0.03
    12   6    -0.00   0.00  -0.01     0.02   0.01  -0.04     0.00   0.02  -0.09
    13   6    -0.00  -0.02   0.07    -0.05   0.05  -0.00     0.01  -0.01  -0.03
    14   6    -0.00  -0.02   0.08    -0.01   0.01   0.04    -0.00  -0.03   0.11
    15   1    -0.02  -0.08   0.44    -0.01  -0.01  -0.18     0.03   0.10  -0.42
    16   1    -0.03  -0.11   0.51    -0.08  -0.03   0.00     0.04   0.05  -0.17
    17   1    -0.01  -0.01   0.05     0.00  -0.06   0.22    -0.04  -0.12   0.56
    18   1     0.04   0.10  -0.47    -0.10   0.01   0.02     0.01  -0.03   0.12
    19   1     0.03   0.11  -0.50     0.00   0.07  -0.20     0.04   0.12  -0.56
                     19                     20                     21
                      A                      A                      A
 Frequencies --    969.0848               983.7900              1009.1588
 Red. masses --      1.3337                 1.2602                 2.2581
 Frc consts  --      0.7379                 0.7186                 1.3549
 IR Inten    --      0.0091                 1.1016                43.2370
 RamAct Fr= 1--      0.0376                 0.0943                14.9113
  Dep-P Fr= 1--      0.5433                 0.5645                 0.2481
  Dep-U Fr= 1--      0.7041                 0.7216                 0.3976
 Alpha2 Fr= 1--      0.0001                 0.0003                 0.1777
 Beta2  Fr= 1--      0.0044                 0.0113                 0.9881
 AlphaG Fr= 1--      0.0039                -0.0013                -0.1068
 Gamma2 Fr= 1--      0.2102                 0.1050                 2.0470
 Delta2 Fr= 1--     -0.0728                -0.0791                 1.3517
 Raman1 Fr= 1--       0.150                  0.377                 59.645
 ROA1   Fr= 1--      17.852                  7.544                239.763
 CID1   Fr= 1--     118.708                 20.007                  4.020
 Raman2 Fr= 1--       0.053                  0.136                 11.857
 ROA2   Fr= 1--       5.627                  3.152                 38.313
 CID2   Fr= 1--     106.300                 23.165                  3.231
 Raman3 Fr= 1--       0.106                  0.272                 23.714
 ROA3   Fr= 1--      17.852                  7.544                239.763
 CID3   Fr= 1--     168.606                 27.726                 10.111
 RC180  Fr= 1--       0.408                  0.443                 -0.205
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.00  -0.00     0.00  -0.01   0.01     0.05  -0.10   0.04
     2   6     0.00   0.00  -0.00    -0.00   0.01  -0.01     0.06   0.11  -0.15
     3   1    -0.02   0.00  -0.01     0.00   0.02   0.01    -0.25   0.28  -0.05
     4   1     0.02   0.00  -0.01    -0.01  -0.00   0.00     0.33   0.11  -0.25
     5   6    -0.00  -0.00   0.00    -0.00   0.01   0.01    -0.15   0.01   0.08
     6   6     0.00  -0.00   0.01    -0.00   0.00  -0.01     0.06   0.03   0.00
     7   1    -0.01   0.01   0.02    -0.00  -0.01   0.00    -0.19  -0.05   0.63
     8   1     0.01   0.00  -0.01    -0.01  -0.01   0.03     0.15  -0.05   0.11
     9   1     0.00   0.01   0.01     0.00  -0.01  -0.02     0.20   0.06  -0.09
    10   6     0.01   0.01  -0.08    -0.00  -0.02   0.08     0.05  -0.08  -0.01
    11   6    -0.00  -0.01   0.04     0.01   0.02  -0.10    -0.03  -0.06  -0.01
    12   6    -0.00  -0.01   0.05    -0.00  -0.01   0.06    -0.06   0.01  -0.01
    13   6     0.01   0.03  -0.11     0.00   0.00  -0.03    -0.02   0.03   0.01
    14   6    -0.01  -0.02   0.08    -0.00   0.00   0.01     0.02   0.05   0.00
    15   1    -0.02  -0.08   0.40     0.02   0.10  -0.54     0.03  -0.10  -0.00
    16   1     0.01   0.04  -0.18    -0.04  -0.13   0.62    -0.09  -0.03  -0.05
    17   1     0.02   0.07  -0.33     0.03   0.08  -0.41    -0.07   0.05   0.04
    18   1    -0.04  -0.14   0.63    -0.02  -0.06   0.26    -0.02   0.04  -0.03
    19   1     0.03   0.10  -0.47     0.00   0.03  -0.11    -0.03   0.06   0.07
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1026.1786              1053.5020              1070.5286
 Red. masses --      5.7173                 2.1794                 1.6888
 Frc consts  --      3.5472                 1.4252                 1.1403
 IR Inten    --      3.4614                 7.0778                17.2363
 RamAct Fr= 1--     44.3851                21.5454                 6.9743
  Dep-P Fr= 1--      0.0384                 0.0323                 0.1032
  Dep-U Fr= 1--      0.0740                 0.0625                 0.1870
 Alpha2 Fr= 1--      0.9011                 0.4439                 0.1212
 Beta2  Fr= 1--      0.5477                 0.2245                 0.2174
 AlphaG Fr= 1--      0.0704                 0.0187                 0.0135
 Gamma2 Fr= 1--     -0.8739                -0.3235                 0.5469
 Delta2 Fr= 1--     -0.3370                -0.1911                -0.7044
 Raman1 Fr= 1--     177.540                 86.182                 27.897
 ROA1   Fr= 1--     -94.674                -37.174                 29.961
 CID1   Fr= 1--      -0.533                 -0.431                  1.074
 Raman2 Fr= 1--       6.572                  2.694                  2.609
 ROA2   Fr= 1--     -18.277                 -6.235                 18.760
 CID2   Fr= 1--      -2.781                 -2.314                  7.191
 Raman3 Fr= 1--      13.145                  5.388                  5.217
 ROA3   Fr= 1--     -94.674                -37.174                 29.961
 CID3   Fr= 1--      -7.202                 -6.899                  5.742
 RC180  Fr= 1--      -0.852                 -0.875                 -0.626
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.03  -0.05   0.02     0.01  -0.01   0.00     0.02   0.01  -0.00
     2   6     0.05   0.05  -0.08     0.02   0.02  -0.02     0.03  -0.09  -0.14
     3   1    -0.13   0.14  -0.03    -0.04   0.05  -0.01    -0.28   0.35  -0.10
     4   1     0.10   0.06  -0.11     0.06   0.03  -0.04    -0.21  -0.19   0.11
     5   6    -0.06   0.01   0.05    -0.00  -0.01   0.02     0.02   0.08   0.09
     6   6     0.04   0.01   0.01    -0.02   0.00   0.00    -0.01  -0.06   0.04
     7   1    -0.07  -0.02   0.24    -0.00   0.02   0.00     0.09  -0.17  -0.25
     8   1     0.04  -0.03   0.08    -0.01   0.01   0.01    -0.32  -0.10   0.47
     9   1     0.07   0.02  -0.02    -0.03   0.00   0.05    -0.09  -0.13  -0.14
    10   6    -0.22   0.28   0.05    -0.03  -0.08  -0.02    -0.04   0.04  -0.01
    11   6    -0.03  -0.06  -0.02    -0.00   0.18   0.04     0.03   0.04   0.01
    12   6     0.36   0.05   0.03     0.13   0.02   0.01    -0.01  -0.05  -0.01
    13   6    -0.03   0.05   0.01     0.05  -0.18  -0.03    -0.03   0.02   0.00
    14   6    -0.14  -0.34  -0.09    -0.06   0.06   0.01     0.04   0.05  -0.00
    15   1    -0.20   0.30   0.06    -0.32  -0.30  -0.05    -0.13  -0.04   0.05
    16   1    -0.04  -0.04  -0.01    -0.36   0.34   0.03     0.15  -0.01   0.01
    17   1     0.37   0.06   0.04     0.15   0.02   0.02     0.02  -0.24  -0.07
    18   1    -0.02   0.05  -0.00    -0.24  -0.41  -0.11    -0.12  -0.04  -0.01
    19   1    -0.12  -0.36  -0.05    -0.39   0.19   0.03     0.17  -0.02   0.08
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1102.2961              1129.1320              1184.7885
 Red. masses --      1.7699                 1.9636                 1.1186
 Frc consts  --      1.2670                 1.4750                 0.9251
 IR Inten    --     31.8382                14.1938                 0.1026
 RamAct Fr= 1--      5.5316                 1.7546                 3.7382
  Dep-P Fr= 1--      0.1310                 0.7485                 0.7499
  Dep-U Fr= 1--      0.2316                 0.8562                 0.8571
 Alpha2 Fr= 1--      0.0897                 0.0000                 0.0000
 Beta2  Fr= 1--      0.2135                 0.2504                 0.5340
 AlphaG Fr= 1--      0.0598                -0.0025                 0.0000
 Gamma2 Fr= 1--      0.1258                -2.3453                -0.0048
 Delta2 Fr= 1--      0.2597                -0.7805                 0.0737
 Raman1 Fr= 1--      22.127                  7.018                 14.953
 ROA1   Fr= 1--      20.384               -250.122                  1.898
 CID1   Fr= 1--       0.921                -35.638                  0.127
 Raman2 Fr= 1--       2.562                  3.005                  6.408
 ROA2   Fr= 1--       0.940                -50.042                 -0.705
 CID2   Fr= 1--       0.367                -16.655                 -0.110
 Raman3 Fr= 1--       5.125                  6.009                 12.816
 ROA3   Fr= 1--      20.384               -250.122                  1.898
 CID3   Fr= 1--       3.978                -41.624                  0.148
 RC180  Fr= 1--      -0.537                  0.712                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.03  -0.04   0.01     0.03  -0.09   0.03     0.00   0.00   0.00
     2   6    -0.04   0.04  -0.11    -0.07   0.19  -0.06    -0.00  -0.01  -0.00
     3   1    -0.07   0.06  -0.02     0.13  -0.19   0.07     0.00  -0.00  -0.00
     4   1    -0.12   0.03  -0.08    -0.07   0.30  -0.26    -0.00  -0.01   0.01
     5   6     0.06  -0.01   0.07     0.05  -0.07   0.04     0.00   0.00   0.00
     6   6    -0.08   0.02   0.04    -0.05  -0.02   0.01     0.00   0.00   0.00
     7   1     0.09   0.04  -0.32     0.04   0.19  -0.20     0.00  -0.01  -0.01
     8   1    -0.22   0.03   0.09    -0.08   0.11  -0.19    -0.01  -0.00   0.01
     9   1    -0.22  -0.06   0.20    -0.21   0.02   0.36    -0.00  -0.01  -0.01
    10   6     0.09  -0.01  -0.00    -0.07   0.01  -0.01    -0.00  -0.01  -0.00
    11   6    -0.02  -0.03  -0.01     0.04   0.04   0.01     0.04  -0.02  -0.00
    12   6    -0.03   0.06   0.01    -0.01  -0.04  -0.01    -0.01   0.07   0.01
    13   6     0.08  -0.05  -0.01    -0.01   0.02   0.00    -0.04  -0.03  -0.01
    14   6    -0.07  -0.04  -0.03     0.07   0.01   0.00     0.01  -0.01  -0.00
    15   1     0.43   0.24   0.11    -0.24  -0.11  -0.01    -0.14  -0.11  -0.03
    16   1    -0.13   0.01   0.00     0.24  -0.03   0.01     0.44  -0.19  -0.01
    17   1    -0.08   0.42   0.08     0.03  -0.30  -0.06    -0.09   0.67   0.13
    18   1     0.29   0.09   0.05    -0.08  -0.03  -0.01    -0.38  -0.28  -0.09
    19   1    -0.29   0.02   0.03     0.39  -0.12   0.02     0.14  -0.07  -0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1201.7799              1222.3006              1280.2328
 Red. masses --      1.1401                 2.3042                 1.2835
 Frc consts  --      0.9701                 2.0283                 1.2394
 IR Inten    --      0.3290                 1.9461                48.3717
 RamAct Fr= 1--      5.6867                24.4096                 2.4110
  Dep-P Fr= 1--      0.2980                 0.0589                 0.4812
  Dep-U Fr= 1--      0.4591                 0.1112                 0.6498
 Alpha2 Fr= 1--      0.0587                 0.4721                 0.0130
 Beta2  Fr= 1--      0.4352                 0.4523                 0.2611
 AlphaG Fr= 1--     -0.0025                -0.0483                -0.0233
 Gamma2 Fr= 1--      0.2029                 1.1094                -0.9922
 Delta2 Fr= 1--      0.1756                 0.7075                 0.1379
 Raman1 Fr= 1--      22.747                 97.638                  9.644
 ROA1   Fr= 1--      25.100                129.140                -90.843
 CID1   Fr= 1--       1.103                  1.323                 -9.420
 Raman2 Fr= 1--       5.222                  5.428                  3.133
 ROA2   Fr= 1--       3.466                 20.965                -24.917
 CID2   Fr= 1--       0.664                  3.863                 -7.953
 Raman3 Fr= 1--      10.444                 10.855                  6.266
 ROA3   Fr= 1--      25.100                129.140                -90.843
 CID3   Fr= 1--       2.403                 11.896                -14.497
 RC180  Fr= 1--      -0.082                 -0.778                  0.300
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.00  -0.00    -0.02  -0.01   0.02     0.04  -0.03  -0.02
     2   6     0.02   0.00   0.01    -0.11  -0.01  -0.06    -0.02   0.06   0.04
     3   1    -0.03   0.02  -0.01     0.27  -0.33   0.11    -0.38   0.49  -0.14
     4   1     0.06  -0.01   0.02    -0.47   0.13  -0.17    -0.41  -0.12   0.46
     5   6    -0.01  -0.00  -0.00     0.03   0.02   0.01    -0.00  -0.08  -0.03
     6   6    -0.04  -0.00  -0.01     0.27  -0.00   0.03     0.05  -0.05  -0.01
     7   1    -0.01  -0.00   0.02     0.04  -0.02  -0.08    -0.04   0.15   0.02
     8   1     0.03   0.00  -0.02    -0.15   0.00   0.09     0.10   0.07  -0.29
     9   1     0.02   0.01  -0.01    -0.10  -0.04   0.02     0.02   0.05   0.15
    10   6     0.03   0.03   0.01     0.06   0.03   0.01     0.02   0.02   0.01
    11   6    -0.04   0.03   0.00    -0.08  -0.06  -0.02    -0.03   0.00  -0.00
    12   6    -0.01  -0.00  -0.00     0.02  -0.00   0.00     0.00  -0.02  -0.00
    13   6    -0.03  -0.04  -0.01    -0.08   0.05   0.01     0.00   0.02   0.01
    14   6     0.05  -0.02  -0.00     0.04   0.01   0.00    -0.00   0.02   0.00
    15   1     0.41   0.31   0.08    -0.03  -0.04  -0.00     0.02   0.03   0.00
    16   1    -0.40   0.18   0.01    -0.37   0.05  -0.01     0.03  -0.02  -0.00
    17   1    -0.01  -0.00  -0.00     0.01   0.04   0.01    -0.00   0.02   0.00
    18   1    -0.36  -0.28  -0.09    -0.35  -0.14  -0.05    -0.10  -0.05  -0.02
    19   1     0.50  -0.21  -0.01    -0.25   0.14   0.02    -0.11   0.06   0.01
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1319.4599              1354.7340              1386.6678
 Red. masses --      2.3563                 2.0370                 1.2725
 Frc consts  --      2.4170                 2.2026                 1.4416
 IR Inten    --     20.2050                 2.7168                 0.2915
 RamAct Fr= 1--      1.2261                 0.8831                 2.6661
  Dep-P Fr= 1--      0.2114                 0.6129                 0.6631
  Dep-U Fr= 1--      0.3491                 0.7600                 0.7974
 Alpha2 Fr= 1--      0.0162                 0.0022                 0.0041
 Beta2  Fr= 1--      0.0713                 0.1119                 0.3543
 AlphaG Fr= 1--      0.0307                -0.0046                -0.0059
 Gamma2 Fr= 1--     -0.5635                 0.1096                 1.5166
 Delta2 Fr= 1--     -0.1664                -0.0254                 0.4561
 Raman1 Fr= 1--       4.905                  3.532                 10.664
 ROA1   Fr= 1--     -59.423                  9.709                160.184
 CID1   Fr= 1--     -12.116                  2.749                 15.021
 Raman2 Fr= 1--       0.856                  1.342                  4.252
 ROA2   Fr= 1--     -12.194                  2.834                 32.749
 CID2   Fr= 1--     -14.246                  2.111                  7.702
 Raman3 Fr= 1--       1.712                  2.685                  8.504
 ROA3   Fr= 1--     -59.423                  9.709                160.184
 CID3   Fr= 1--     -34.711                  3.617                 18.837
 RC180  Fr= 1--      -0.302                  0.520                  0.595
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.03   0.01   0.00    -0.01  -0.00  -0.00    -0.01   0.03   0.02
     2   6    -0.13  -0.01  -0.02     0.05   0.01   0.00    -0.05   0.05  -0.07
     3   1    -0.14   0.19  -0.05     0.01  -0.03   0.00     0.15  -0.18   0.06
     4   1     0.34  -0.36   0.38    -0.24   0.09  -0.04     0.53  -0.39   0.42
     5   6     0.04  -0.02   0.00    -0.02   0.00   0.00     0.03  -0.01  -0.03
     6   6     0.04   0.22   0.05    -0.02   0.01   0.00     0.02  -0.06  -0.01
     7   1     0.04   0.05  -0.08    -0.01  -0.03  -0.00    -0.01   0.04   0.19
     8   1    -0.09   0.05  -0.08     0.07  -0.01  -0.01    -0.15  -0.03   0.07
     9   1    -0.11  -0.06   0.04     0.04   0.02  -0.01    -0.15   0.01   0.14
    10   6    -0.03  -0.06  -0.01    -0.15  -0.08  -0.02     0.00  -0.00  -0.00
    11   6     0.08  -0.07  -0.01     0.09  -0.02   0.00    -0.05   0.02   0.00
    12   6    -0.01   0.08   0.02    -0.02   0.15   0.03     0.00  -0.00  -0.00
    13   6    -0.09  -0.07  -0.02    -0.07  -0.04  -0.01     0.04   0.04   0.01
    14   6     0.08  -0.07  -0.01     0.15  -0.04   0.00     0.00  -0.01  -0.00
    15   1    -0.27  -0.23  -0.07     0.43   0.36   0.10     0.14   0.10   0.02
    16   1    -0.37   0.10  -0.01     0.20  -0.06   0.00     0.22  -0.09  -0.00
    17   1     0.01  -0.06  -0.01     0.05  -0.34  -0.07     0.02  -0.14  -0.03
    18   1     0.19   0.14   0.05    -0.13  -0.09  -0.03    -0.19  -0.13  -0.04
    19   1     0.20  -0.12  -0.01    -0.50   0.24   0.02    -0.18   0.07   0.01
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1394.0529              1413.0389              1484.9550
 Red. masses --      1.4144                 1.3613                 1.0791
 Frc consts  --      1.6195                 1.6015                 1.4020
 IR Inten    --     28.4614                13.8879                 1.6931
 RamAct Fr= 1--      4.6088                 5.6336                 5.1617
  Dep-P Fr= 1--      0.3356                 0.4802                 0.6464
  Dep-U Fr= 1--      0.5026                 0.6488                 0.7852
 Alpha2 Fr= 1--      0.0424                 0.0304                 0.0096
 Beta2  Fr= 1--      0.3860                 0.6092                 0.6755
 AlphaG Fr= 1--      0.0146                -0.0011                 0.0156
 Gamma2 Fr= 1--     -0.2446                -0.2118                 1.9138
 Delta2 Fr= 1--     -0.8643                 0.0828                -0.0432
 Raman1 Fr= 1--      18.435                 22.535                 20.647
 ROA1   Fr= 1--     -51.136                -17.682                182.339
 CID1   Fr= 1--      -2.774                 -0.785                  8.831
 Raman2 Fr= 1--       4.632                  7.310                  8.106
 ROA2   Fr= 1--       1.045                 -5.745                 46.276
 CID2   Fr= 1--       0.226                 -0.786                  5.709
 Raman3 Fr= 1--       9.265                 14.621                 16.213
 ROA3   Fr= 1--     -51.136                -17.682                182.339
 CID3   Fr= 1--      -5.519                 -1.209                 11.247
 RC180  Fr= 1--       0.005                  0.298                  0.570
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.03  -0.01  -0.02     0.02  -0.02  -0.02     0.00   0.00  -0.00
     2   6    -0.12  -0.03   0.09    -0.04  -0.03   0.08    -0.03  -0.02  -0.00
     3   1    -0.23   0.29  -0.10    -0.19   0.24  -0.07    -0.01   0.03  -0.00
     4   1     0.51   0.13  -0.38     0.04   0.19  -0.28     0.06  -0.01  -0.05
     5   6     0.02   0.02   0.06     0.07   0.03  -0.12    -0.03  -0.03  -0.02
     6   6     0.04  -0.03  -0.02     0.00   0.01  -0.01    -0.00   0.02   0.00
     7   1     0.06  -0.00  -0.33     0.02  -0.07   0.45    -0.03   0.32  -0.35
     8   1    -0.00   0.17  -0.18    -0.26  -0.22   0.38     0.13  -0.30   0.38
     9   1     0.08  -0.16  -0.28    -0.37   0.11   0.36     0.48   0.42   0.29
    10   6     0.01  -0.00   0.00    -0.00  -0.00   0.00     0.02   0.00   0.00
    11   6    -0.04   0.01  -0.00     0.00  -0.00   0.00    -0.02  -0.01  -0.00
    12   6     0.00   0.00   0.00    -0.00   0.01   0.00    -0.01   0.02   0.00
    13   6     0.02   0.03   0.01    -0.00  -0.00   0.00     0.02   0.01   0.00
    14   6     0.01  -0.01   0.00     0.00  -0.00   0.00    -0.00  -0.02  -0.00
    15   1     0.08   0.05   0.01     0.02   0.02  -0.01    -0.03  -0.04  -0.01
    16   1     0.13  -0.06  -0.01     0.00  -0.00   0.00     0.02  -0.03  -0.00
    17   1     0.02  -0.12  -0.02     0.00  -0.01  -0.00     0.01  -0.10  -0.02
    18   1    -0.16  -0.11  -0.04    -0.01  -0.01  -0.00    -0.07  -0.07  -0.02
    19   1    -0.15   0.05  -0.01    -0.00   0.00  -0.02    -0.02  -0.01  -0.00
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1490.6808              1496.5617              1532.7118
 Red. masses --      1.6531                 1.1974                 2.2114
 Frc consts  --      2.1643                 1.5801                 3.0608
 IR Inten    --     16.0986                 0.4174                 7.2085
 RamAct Fr= 1--      0.7124                 3.9160                 0.1506
  Dep-P Fr= 1--      0.7247                 0.7327                 0.6726
  Dep-U Fr= 1--      0.8403                 0.8457                 0.8043
 Alpha2 Fr= 1--      0.0003                 0.0012                 0.0002
 Beta2  Fr= 1--      0.0998                 0.5520                 0.0202
 AlphaG Fr= 1--      0.0019                -0.0143                 0.0007
 Gamma2 Fr= 1--     -1.0864                -0.8882                 0.0520
 Delta2 Fr= 1--      0.3778                -1.0429                -0.0727
 Raman1 Fr= 1--       2.850                 15.664                  0.602
 ROA1   Fr= 1--     -92.202               -118.640                  2.670
 CID1   Fr= 1--     -32.357                 -7.574                  4.434
 Raman2 Fr= 1--       1.197                  6.624                  0.242
 ROA2   Fr= 1--     -29.095                -12.974                  1.830
 CID2   Fr= 1--     -24.300                 -1.959                  7.557
 Raman3 Fr= 1--       2.395                 13.248                  0.484
 ROA3   Fr= 1--     -92.202               -118.640                  2.670
 CID3   Fr= 1--     -38.504                 -8.956                  5.513
 RC180  Fr= 1--       0.681                  0.691                  0.609
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     2   6    -0.02   0.01   0.01    -0.04   0.03  -0.00    -0.03  -0.01  -0.00
     3   1     0.00  -0.01   0.00    -0.02   0.02  -0.01    -0.01   0.01  -0.00
     4   1     0.23  -0.03  -0.03     0.16  -0.04   0.05    -0.04  -0.01   0.01
     5   6     0.01  -0.03  -0.00    -0.03   0.04  -0.01    -0.01  -0.00   0.00
     6   6     0.02  -0.11  -0.03     0.01  -0.06  -0.01     0.14   0.02   0.01
     7   1    -0.06   0.46   0.04     0.08  -0.54  -0.25     0.01  -0.02  -0.08
     8   1    -0.36   0.01   0.06     0.59  -0.14   0.07     0.07  -0.04   0.03
     9   1     0.26   0.05  -0.09    -0.20   0.11   0.27     0.03   0.05   0.05
    10   6    -0.07   0.03   0.00    -0.03   0.02   0.00    -0.05  -0.11  -0.02
    11   6     0.10   0.02   0.01     0.04   0.01   0.00    -0.13   0.09   0.01
    12   6     0.02  -0.09  -0.02     0.00  -0.05  -0.01     0.11   0.01   0.01
    13   6    -0.11  -0.01  -0.01    -0.04   0.01  -0.00    -0.09  -0.11  -0.03
    14   6     0.06   0.05   0.01     0.03   0.02   0.01    -0.08   0.08   0.01
    15   1     0.09   0.16   0.03     0.01   0.05   0.02     0.38   0.20   0.06
    16   1    -0.22   0.17   0.02    -0.12   0.08   0.01     0.47  -0.15   0.00
    17   1    -0.06   0.46   0.09    -0.03   0.21   0.04     0.13   0.01   0.01
    18   1     0.20   0.23   0.06     0.06   0.09   0.02     0.40   0.24   0.08
    19   1    -0.10   0.12   0.02    -0.08   0.07   0.01     0.43  -0.11   0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1630.1248              1649.1533              2979.9925
 Red. masses --      5.5115                 5.5518                 1.0837
 Frc consts  --      8.6291                 8.8963                 5.6699
 IR Inten    --      0.3969                 2.0979                42.1206
 RamAct Fr= 1--      8.5403                41.3472                92.5495
  Dep-P Fr= 1--      0.7487                 0.6222                 0.2168
  Dep-U Fr= 1--      0.8563                 0.7671                 0.3564
 Alpha2 Fr= 1--      0.0002                 0.0965                 1.2016
 Beta2  Fr= 1--      1.2188                 5.2862                 5.4967
 AlphaG Fr= 1--      0.0031                 0.0246                 1.0604
 Gamma2 Fr= 1--     -0.5120                 0.3448                 5.3641
 Delta2 Fr= 1--      0.0012                -0.2480                -0.2375
 Raman1 Fr= 1--      34.161                165.389                370.198
 ROA1   Fr= 1--     -49.111                 25.162                507.353
 CID1   Fr= 1--      -1.438                  0.152                  1.370
 Raman2 Fr= 1--      14.626                 63.435                 65.960
 ROA2   Fr= 1--     -12.297                 10.258                130.638
 CID2   Fr= 1--      -0.841                  0.162                  1.981
 Raman3 Fr= 1--      29.251                126.869                131.921
 ROA3   Fr= 1--     -49.111                 25.162                507.353
 CID3   Fr= 1--      -1.679                  0.198                  3.846
 RC180  Fr= 1--       0.713                  0.534                 -0.287
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.01   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     2   6    -0.02   0.04   0.01     0.03   0.00   0.00    -0.02  -0.07  -0.04
     3   1     0.00  -0.01   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     4   1     0.24  -0.02   0.00     0.01   0.02  -0.02     0.18   0.83   0.52
     5   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.01   0.00
     6   6     0.04  -0.30  -0.06    -0.22  -0.01  -0.01     0.00  -0.00  -0.00
     7   1     0.00  -0.01  -0.01    -0.00   0.01   0.04    -0.04  -0.00  -0.01
     8   1     0.01   0.01  -0.01    -0.03   0.00   0.00    -0.01  -0.06  -0.03
     9   1    -0.01  -0.00   0.01    -0.01  -0.01  -0.01     0.02  -0.02   0.01
    10   6     0.08   0.20   0.05     0.28   0.11   0.04     0.00   0.00  -0.00
    11   6     0.08  -0.19  -0.03    -0.28   0.04  -0.01     0.00  -0.00  -0.00
    12   6    -0.04   0.35   0.07     0.14   0.01   0.01     0.00   0.00   0.00
    13   6    -0.05  -0.21  -0.05    -0.25  -0.09  -0.04    -0.00   0.00   0.00
    14   6    -0.12   0.17   0.03     0.31  -0.06   0.01     0.00   0.00   0.00
    15   1    -0.29  -0.07  -0.03    -0.26  -0.30  -0.07    -0.00   0.00   0.00
    16   1    -0.22  -0.08  -0.03     0.28  -0.20  -0.02     0.00   0.00   0.00
    17   1     0.08  -0.47  -0.09     0.15   0.03   0.02    -0.00   0.00  -0.00
    18   1     0.26  -0.00   0.02     0.20   0.25   0.07    -0.00   0.00  -0.00
    19   1     0.30   0.01   0.02    -0.35   0.22   0.03    -0.01  -0.02  -0.01
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3041.5876              3111.8572              3115.3334
 Red. masses --      1.0337                 1.1030                 1.1023
 Frc consts  --      5.6345                 6.2928                 6.3032
 IR Inten    --     16.5469                25.2980                20.0056
 RamAct Fr= 1--    189.8337                81.8826                66.4222
  Dep-P Fr= 1--      0.0291                 0.5777                 0.7050
  Dep-U Fr= 1--      0.0565                 0.7323                 0.8270
 Alpha2 Fr= 1--      3.9406                 0.2649                 0.0520
 Beta2  Fr= 1--      1.7865                 9.9943                 9.1549
 AlphaG Fr= 1--      0.0378                -0.0693                 0.0425
 Gamma2 Fr= 1--      0.9008                -3.2072                 1.3861
 Delta2 Fr= 1--     -0.1162                -6.5485                 6.6678
 Raman1 Fr= 1--     759.335                327.531                265.689
 ROA1   Fr= 1--      82.761               -517.439                346.436
 CID1   Fr= 1--       0.109                 -1.580                  1.304
 Raman2 Fr= 1--      21.438                119.932                109.858
 ROA2   Fr= 1--      22.549                -24.583                -20.075
 CID2   Fr= 1--       1.052                 -0.205                 -0.183
 Raman3 Fr= 1--      42.876                239.863                219.716
 ROA3   Fr= 1--      82.761               -517.439                346.436
 CID3   Fr= 1--       1.930                 -2.157                  1.577
 RC180  Fr= 1--      -0.887                  0.465                  0.654
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     2   6     0.00   0.00  -0.00    -0.00  -0.01  -0.00     0.00  -0.00  -0.00
     3   1     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     4   1    -0.00  -0.00  -0.00     0.01   0.07   0.04     0.00   0.02   0.02
     5   6    -0.02   0.00   0.04    -0.06  -0.07  -0.03     0.06  -0.07   0.03
     6   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     7   1     0.58   0.08   0.07     0.64   0.07   0.07    -0.47  -0.08  -0.05
     8   1    -0.11  -0.50  -0.31     0.11   0.62   0.39     0.06   0.22   0.15
     9   1    -0.21   0.42  -0.26    -0.06   0.09  -0.07    -0.31   0.65  -0.41
    10   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    11   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    12   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    13   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    14   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    15   1    -0.00   0.00   0.00     0.01  -0.01  -0.00     0.01  -0.01  -0.00
    16   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    17   1    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    18   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    19   1    -0.00  -0.00   0.00    -0.01  -0.01  -0.00    -0.00  -0.01  -0.00
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3157.9221              3168.8522              3178.6958
 Red. masses --      1.0868                 1.0862                 1.0902
 Frc consts  --      6.3858                 6.4265                 6.4900
 IR Inten    --      7.6796                 0.1090                14.5037
 RamAct Fr= 1--     48.4269                87.8835                95.5430
  Dep-P Fr= 1--      0.4697                 0.6438                 0.6569
  Dep-U Fr= 1--      0.6392                 0.7833                 0.7929
 Alpha2 Fr= 1--      0.2736                 0.1682                 0.1591
 Beta2  Fr= 1--      5.1593                11.4735                12.6261
 AlphaG Fr= 1--     -0.0874                -0.0338                -0.0147
 Gamma2 Fr= 1--     -0.4184                 1.2055                -1.0565
 Delta2 Fr= 1--      0.1726                 0.4430                -0.4361
 Raman1 Fr= 1--     193.707                351.534                382.172
 ROA1   Fr= 1--     -34.644                129.901               -115.377
 CID1   Fr= 1--      -0.179                  0.370                 -0.302
 Raman2 Fr= 1--      61.911                137.682                151.513
 ROA2   Fr= 1--     -11.423                 25.387                -21.867
 CID2   Fr= 1--      -0.185                  0.184                 -0.144
 Raman3 Fr= 1--     123.822                275.363                303.026
 ROA3   Fr= 1--     -34.644                129.901               -115.377
 CID3   Fr= 1--      -0.280                  0.472                 -0.381
 RC180  Fr= 1--       0.278                  0.567                  0.586
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     3   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     4   1     0.01   0.02   0.01    -0.00  -0.01  -0.00     0.00   0.00   0.00
     5   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     6   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     7   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     8   1     0.00   0.01   0.00    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00
     9   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    10   6    -0.00   0.00   0.00    -0.02   0.02   0.00    -0.02   0.03   0.00
    11   6    -0.00  -0.01  -0.00    -0.02  -0.05  -0.01    -0.01  -0.03  -0.01
    12   6     0.01   0.00   0.00     0.04   0.01   0.00    -0.04  -0.00  -0.00
    13   6    -0.02   0.03   0.00    -0.01   0.01   0.00     0.03  -0.04  -0.01
    14   6    -0.03  -0.07  -0.02     0.01   0.02   0.01    -0.01  -0.02  -0.01
    15   1     0.03  -0.04  -0.01     0.20  -0.25  -0.04     0.25  -0.32  -0.05
    16   1     0.04   0.11   0.03     0.26   0.62   0.15     0.16   0.39   0.09
    17   1    -0.17  -0.02  -0.02    -0.53  -0.07  -0.05     0.41   0.05   0.04
    18   1     0.24  -0.32  -0.05     0.12  -0.15  -0.02    -0.38   0.49   0.08
    19   1     0.33   0.80   0.20    -0.11  -0.27  -0.07     0.11   0.26   0.06
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3188.2761              3195.5658              3792.7286
 Red. masses --      1.0927                 1.0973                 1.0661
 Frc consts  --      6.5445                 6.6017                 9.0355
 IR Inten    --     18.2977                12.4077                20.4374
 RamAct Fr= 1--     19.5683               304.1853                81.9106
  Dep-P Fr= 1--      0.5448                 0.0987                 0.1703
  Dep-U Fr= 1--      0.7053                 0.1797                 0.2911
 Alpha2 Fr= 1--      0.0770                 5.3424                 1.2021
 Beta2  Fr= 1--      2.3004                 9.1108                 3.9738
 AlphaG Fr= 1--     -0.0466                 0.0375                -1.1757
 Gamma2 Fr= 1--     -0.1819                -0.1221                -6.8532
 Delta2 Fr= 1--     -1.6732                 0.6196                -1.1088
 Raman1 Fr= 1--      78.273               1216.741                327.643
 ROA1   Fr= 1--     -71.006                  8.109               -693.387
 CID1   Fr= 1--      -0.907                  0.007                 -2.116
 Raman2 Fr= 1--      27.605                109.329                 47.686
 ROA2   Fr= 1--       9.019                 -7.886               -155.606
 CID2   Fr= 1--       0.327                 -0.072                 -3.263
 Raman3 Fr= 1--      55.210                218.658                 95.372
 ROA3   Fr= 1--     -71.006                  8.109               -693.387
 CID3   Fr= 1--      -1.286                  0.037                 -7.270
 RC180  Fr= 1--       0.411                 -0.641                 -0.418
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.00   0.00    -0.00   0.00   0.00     0.03   0.01  -0.05
     2   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     3   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.45  -0.16   0.88
     4   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     5   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     6   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     7   1     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     8   1     0.00   0.01   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     9   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    10   6     0.04  -0.05  -0.01     0.03  -0.03  -0.00     0.00   0.00  -0.00
    11   6    -0.01  -0.02  -0.00    -0.02  -0.04  -0.01    -0.00  -0.00  -0.00
    12   6     0.03   0.01   0.00    -0.05  -0.01  -0.00     0.00  -0.00   0.00
    13   6     0.03  -0.03  -0.01    -0.02   0.03   0.01     0.00   0.00  -0.00
    14   6    -0.01  -0.01  -0.00     0.01   0.01   0.00     0.00   0.00   0.00
    15   1    -0.44   0.56   0.09    -0.28   0.35   0.05    -0.00  -0.00  -0.00
    16   1     0.09   0.21   0.05     0.19   0.46   0.11     0.00   0.00   0.00
    17   1    -0.39  -0.05  -0.04     0.59   0.07   0.05     0.00  -0.00   0.00
    18   1    -0.30   0.38   0.06     0.24  -0.31  -0.05     0.00  -0.00  -0.00
    19   1     0.06   0.14   0.03    -0.04  -0.10  -0.02    -0.00  -0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  8 and mass  15.99491
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  1 and mass   1.00783
 Atom     4 has atomic number  1 and mass   1.00783
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  1 and mass   1.00783
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  6 and mass  12.00000
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Molecular mass:   122.07317 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   517.510441627.663341835.40748
           X            0.99984   0.01236  -0.01287
           Y           -0.01215   0.99980   0.01611
           Z            0.01306  -0.01595   0.99979
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.16737     0.05321     0.04719
 Rotational constants (GHZ):           3.48735     1.10879     0.98329
 Zero-point vibrational energy     422585.9 (Joules/Mol)
                                  101.00045 (Kcal/Mol)
 Warning -- explicit consideration of  11 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     61.88   184.99   299.70   363.95   441.33
          (Kelvin)            475.88   526.53   597.19   699.33   793.80
                              892.49   917.68  1029.55  1119.61  1124.66
                             1241.26  1320.38  1340.93  1394.30  1415.45
                             1451.95  1476.44  1515.75  1540.25  1585.96
                             1624.57  1704.65  1729.09  1758.62  1841.97
                             1898.41  1949.16  1995.11  2005.73  2033.05
                             2136.52  2144.76  2153.22  2205.23  2345.39
                             2372.76  4287.54  4376.17  4477.27  4482.27
                             4543.55  4559.27  4573.43  4587.22  4597.71
                             5456.89
 
 Zero-point correction=                           0.160954 (Hartree/Particle)
 Thermal correction to Energy=                    0.169314
 Thermal correction to Enthalpy=                  0.170258
 Thermal correction to Gibbs Free Energy=         0.127601
 Sum of electronic and zero-point Energies=           -386.117534
 Sum of electronic and thermal Energies=              -386.109175
 Sum of electronic and thermal Enthalpies=            -386.108231
 Sum of electronic and thermal Free Energies=         -386.150888
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  106.246             32.149             89.780
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.313
 Rotational               0.889              2.981             28.826
 Vibrational            104.468             26.187             20.641
 Vibration     1          0.595              1.980              5.116
 Vibration     2          0.611              1.925              2.967
 Vibration     3          0.642              1.828              2.059
 Vibration     4          0.664              1.758              1.710
 Vibration     5          0.697              1.661              1.380
 Vibration     6          0.713              1.614              1.256
 Vibration     7          0.739              1.542              1.097
 Vibration     8          0.778              1.438              0.909
 Vibration     9          0.842              1.281              0.694
 Vibration    10          0.907              1.136              0.541
 Vibration    11          0.980              0.989              0.416
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.203176D-58        -58.692129       -135.143620
 Total V=0       0.219643D+16         15.341717         35.325609
 Vib (Bot)       0.861060D-72        -72.064966       -165.935718
 Vib (Bot)    1  0.480987D+01          0.682133          1.570670
 Vib (Bot)    2  0.158612D+01          0.200336          0.461290
 Vib (Bot)    3  0.954148D+00         -0.020384         -0.046936
 Vib (Bot)    4  0.770463D+00         -0.113248         -0.260763
 Vib (Bot)    5  0.617618D+00         -0.209280         -0.481886
 Vib (Bot)    6  0.564650D+00         -0.248221         -0.571550
 Vib (Bot)    7  0.498856D+00         -0.302025         -0.695439
 Vib (Bot)    8  0.424629D+00         -0.371990         -0.856539
 Vib (Bot)    9  0.342292D+00         -0.465603         -1.072090
 Vib (Bot)   10  0.283972D+00         -0.546724         -1.258880
 Vib (Bot)   11  0.235674D+00         -0.627689         -1.445307
 Vib (V=0)       0.930849D+02          1.968879          4.533512
 Vib (V=0)    1  0.533579D+01          0.727198          1.674436
 Vib (V=0)    2  0.216306D+01          0.335069          0.771524
 Vib (V=0)    3  0.157722D+01          0.197892          0.455663
 Vib (V=0)    4  0.141848D+01          0.151825          0.349589
 Vib (V=0)    5  0.129464D+01          0.112149          0.258232
 Vib (V=0)    6  0.125421D+01          0.098369          0.226504
 Vib (V=0)    7  0.120630D+01          0.081455          0.187556
 Vib (V=0)    8  0.115598D+01          0.062950          0.144948
 Vib (V=0)    9  0.110594D+01          0.043732          0.100696
 Vib (V=0)   10  0.107501D+01          0.031414          0.072333
 Vib (V=0)   11  0.105276D+01          0.022329          0.051414
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.530132D+08          7.724384         17.786052
 Rotational      0.445096D+06          5.648454         13.006045
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3                3333333  3 2                                           11 1111111111111111111                                  
     7                1111111  0 9                                           66 54444333322211100009999 877  7 66 5 4  4333 2 2 1    
     9                9876511  4 8                                           43 39981985182082075208631 687  1 32 5 8  1630 5 0 2  4 
     3                6899852  2 0                                           90 37153475902259214694928 328  6 80 2 6  5617 3 8 9  3 
 
     X                XXXXXXX  X X                                           XX XXXXXXXXXXXXXXXXXXXX XX XXX  X XX X X  XXXX X X X  X 
     X                XXX XXX  X X                                              X X XX  XX   XXX  X   X   X  X  X X     XX           
     X                XXX  XX  X X                                                X XX  XX   XXX  X       X  X    X     XX           
     X                 X   XX    X                                                   X  XX    XX  X       X  X    X     XX           
                            X    X                                                   X   X    X   X       X  X          XX           
                                 X                                                   X   X    X   X          X          XX           
                                 X                                                       X    X   X          X          XX           
                                 X                                                       X        X          X          XX           
                                 X                                                       X        X          X           X           
                                                                                         X                               X           
                                                                                                                         X           
                                                                                                                         X           
                                                                                                                         X           
                                                                                                                         X           
                                                                                                                         X           
                                                                                                                         X           
                                                                                                                         X           
                                                                                                                         X           
                                                                                                                         X           
                                                                                                                         X           
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        8          -0.000008896    0.000001307   -0.000000556
      2        6           0.000011671   -0.000009850    0.000001709
      3        1           0.000002840   -0.000003502    0.000002386
      4        1          -0.000005052    0.000001867   -0.000001673
      5        6          -0.000001543    0.000001372   -0.000005005
      6        6          -0.000004773    0.000028650    0.000007567
      7        1          -0.000000092    0.000001046    0.000001724
      8        1          -0.000000484    0.000002188   -0.000002097
      9        1          -0.000000036    0.000002000   -0.000001939
     10        6          -0.000017629   -0.000018327   -0.000005287
     11        6           0.000023488   -0.000010615   -0.000000843
     12        6          -0.000004549    0.000025099    0.000005038
     13        6          -0.000022285   -0.000014946   -0.000004968
     14        6           0.000028933   -0.000010463    0.000001388
     15        1           0.000002584    0.000001650   -0.000000070
     16        1          -0.000002717    0.000000792   -0.000001915
     17        1          -0.000000444   -0.000002946    0.000000929
     18        1           0.000001874    0.000002784    0.000001341
     19        1          -0.000002889    0.000001894    0.000002274
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000028933 RMS     0.000009456
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.128894D+03  0.778511D+00  0.541025D+00
      2   0.778511D+00  0.104940D+03  0.505840D+01
      3   0.541025D+00  0.505840D+01  0.751638D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.120317D+01  0.619009D+01  0.469470D+01
      2   0.197382D+01  0.127320D+02 -0.404797D+01
      3  -0.834348D+01 -0.428359D+02 -0.126617D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.981371D+02  0.444514D+01  0.547164D+01
      2  -0.351062D+02 -0.123321D+02 -0.158348D+02
      3  -0.630310D+02  0.788691D+01  0.103631D+02
      4  -0.137552D+02  0.849246D+02  0.292117D+02
      5   0.324673D+02  0.303000D+02 -0.147071D+02
      6   0.113835D+02  0.990222D+01 -0.673961D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.616690D+01  0.215109D+01 -0.131189D+01  0.392154D+01 -0.239045D+01
      2   0.215109D+01 -0.120341D+01  0.184415D+01 -0.239045D+01  0.126468D+01
      3  -0.131189D+01  0.184415D+01 -0.340813D+01  0.154507D+01 -0.143308D+01
                 6             7             8             9            10 
      1   0.154507D+01  0.535317D+00  0.100562D+01 -0.271631D+01  0.530627D+01
      2  -0.143308D+01  0.100562D+01  0.111552D+01 -0.591400D+00  0.153570D+00
      3  -0.157546D+00 -0.271631D+01 -0.591400D+00  0.382881D+01 -0.110000D+01
                11            12            13            14            15 
      1   0.153570D+00 -0.110000D+01 -0.303904D+00  0.290571D+01 -0.172414D+01
      2   0.577304D+00 -0.135321D+01  0.290571D+01  0.407664D+01  0.400532D+01
      3  -0.135321D+01  0.229792D+01 -0.172414D+01  0.400532D+01  0.106434D+01
                16            17            18            19            20 
      1  -0.447936D+01 -0.146760D+01  0.505279D+01  0.105453D+01  0.794380D-01
      2  -0.146760D+01  0.247494D+01  0.180823D+01  0.794380D-01  0.535842D+00
      3   0.505279D+01  0.180823D+01 -0.179814D+01 -0.533791D+00 -0.947123D+00
                21            22            23            24            25 
      1  -0.533791D+00  0.203991D+00 -0.221090D+00 -0.126058D+00 -0.170808D+01
      2  -0.947123D+00 -0.221090D+00  0.131454D+01 -0.119056D+01  0.437290D-01
      3   0.240533D+01 -0.126058D+00 -0.119056D+01  0.149421D+01  0.130546D+00
                26            27            28            29            30 
      1   0.437290D-01  0.130546D+00 -0.610610D+00 -0.139499D+01 -0.558600D+00
      2  -0.177466D+01  0.211893D+01 -0.139499D+01 -0.100832D+01 -0.353878D+00
      3   0.211893D+01 -0.720339D+01 -0.558600D+00 -0.353878D+00 -0.879854D+00
                31            32            33            34            35 
      1  -0.300040D+01 -0.206842D+01 -0.584015D+00 -0.655550D+00 -0.676597D+00
      2  -0.206842D+01 -0.592113D+01 -0.225900D+01 -0.676597D+00 -0.240226D+01
      3  -0.584015D+00 -0.225900D+01 -0.224051D+01 -0.131830D+01 -0.197691D+01
                36            37            38            39            40 
      1  -0.131830D+01  0.879358D+01  0.159994D+01  0.381104D+00  0.143225D+01
      2  -0.197691D+01  0.159994D+01 -0.183953D+01  0.930830D+00 -0.160707D+01
      3  -0.208359D+01  0.381104D+00  0.930830D+00 -0.296036D+01  0.123574D+01
                41            42            43            44            45 
      1  -0.160707D+01  0.123574D+01  0.593556D+01  0.154033D+01 -0.424702D+01
      2  -0.350767D+00 -0.436440D+01  0.154033D+01 -0.321176D+01 -0.112739D+01
      3  -0.436440D+01 -0.695525D+00 -0.424702D+01 -0.112739D+01  0.139075D+01
                46            47            48            49            50 
      1  -0.181183D+02 -0.185363D+01 -0.276715D-01 -0.333388D+01  0.158305D+01
      2  -0.185363D+01 -0.267830D+01  0.270133D+00  0.158305D+01 -0.447226D+00
      3  -0.276715D-01  0.270133D+00 -0.246219D+01  0.119698D+01 -0.176919D+00
                51            52            53            54            55 
      1   0.119698D+01 -0.848061D+00  0.122596D+01 -0.418303D+01 -0.140667D+02
      2  -0.176919D+00  0.122596D+01 -0.528207D+00 -0.580751D+00 -0.173421D+01
      3  -0.327449D-01 -0.418303D+01 -0.580751D+00 -0.706067D+00  0.160578D+01
                56            57            58            59            60 
      1  -0.173421D+01  0.160578D+01 -0.172167D+01 -0.142176D+01  0.178811D+00
      2  -0.119254D+01  0.210451D+00 -0.142176D+01 -0.573136D+00  0.555874D+00
      3   0.210451D+00 -0.150986D+01  0.178811D+00  0.555874D+00 -0.243122D+00
                61            62            63            64            65 
      1  -0.147574D+01 -0.266792D+00 -0.654590D+00 -0.286407D+00  0.583121D+00
      2  -0.266792D+00  0.434600D-01 -0.737419D-01  0.583121D+00  0.404262D+00
      3  -0.654590D+00 -0.737419D-01 -0.216556D+00  0.197514D+00  0.753466D-01
                66            67            68            69            70 
      1   0.197514D+00  0.190202D+01 -0.131978D+00 -0.811594D+00  0.671374D+00
      2   0.753466D-01 -0.131978D+00  0.365912D+01  0.242365D+01 -0.269620D+00
      3   0.878957D+00 -0.811594D+00  0.242365D+01  0.319383D+01 -0.104803D+00
                71            72            73            74            75 
      1  -0.269620D+00 -0.104803D+00  0.133288D-01 -0.899939D+00  0.493693D+00
      2   0.204868D+01  0.159462D+01 -0.899939D+00  0.123959D+01 -0.815194D+00
      3   0.159462D+01  0.318154D+01  0.493693D+00 -0.815194D+00  0.149211D+01
                76            77            78            79            80 
      1  -0.152047D+01  0.257725D+00 -0.377764D-01  0.452720D+00 -0.247149D+00
      2   0.257725D+00 -0.405821D+01  0.265693D+01 -0.247149D+00  0.214828D+01
      3  -0.377764D-01  0.265693D+01 -0.258805D+01  0.307114D+00 -0.176477D+01
                81            82            83            84            85 
      1   0.307114D+00  0.410416D+01 -0.775193D+00  0.298633D+00  0.850792D+01
      2  -0.176477D+01 -0.775193D+00 -0.390599D+01 -0.645946D+00 -0.109318D+00
      3   0.290987D+01  0.298633D+00 -0.645946D+00 -0.203759D+01  0.459824D+00
                86            87            88            89            90 
      1  -0.109318D+00  0.459824D+00  0.278779D+01 -0.191620D+00 -0.179775D+01
      2   0.157246D+01 -0.892013D+00 -0.191620D+00 -0.149744D+01  0.314902D+01
      3  -0.892013D+00  0.172383D+01 -0.179775D+01  0.314902D+01  0.123151D+01
                91            92            93            94            95 
      1  -0.447592D+01 -0.546086D+00 -0.248134D+00  0.554363D+01  0.410906D+00
      2  -0.546086D+00  0.288212D+01 -0.249468D+00  0.410906D+00  0.166527D+01
      3  -0.248134D+00 -0.249468D+00  0.100242D+01 -0.293819D+00 -0.103273D+01
                96            97            98            99           100 
      1  -0.293819D+00  0.660468D+00 -0.702578D+00  0.196046D+01  0.658013D+01
      2  -0.103273D+01 -0.702578D+00 -0.118364D+01  0.385319D+01  0.451319D+00
      3   0.228780D+01  0.196046D+01  0.385319D+01  0.253601D+01 -0.406174D+00
               101           102           103           104           105 
      1   0.451319D+00 -0.406174D+00  0.102932D+01 -0.585248D+00 -0.123222D+01
      2   0.350131D+01  0.562763D-01 -0.585248D+00  0.169281D+00 -0.592283D+00
      3   0.562763D-01  0.318825D+01 -0.123222D+01 -0.592283D+00  0.182968D+00
               106           107           108           109           110 
      1  -0.927490D-01 -0.127691D+01  0.541255D+01 -0.280452D+01 -0.948806D+00
      2  -0.127691D+01  0.781106D-01  0.455294D+00 -0.948806D+00  0.327184D+01
      3   0.541255D+01  0.455294D+00  0.109773D+01 -0.535575D+00  0.853456D+00
               111           112           113           114           115 
      1  -0.535575D+00 -0.626388D+01 -0.745401D+00 -0.990257D+00 -0.180914D+01
      2   0.853456D+00 -0.745401D+00 -0.113160D+01  0.128853D+01 -0.588651D+00
      3   0.195540D+01 -0.990257D+00  0.128853D+01 -0.211161D+01  0.294585D+01
               116           117           118           119           120 
      1  -0.588651D+00  0.294585D+01  0.573889D+01  0.260132D+01  0.978194D+00
      2   0.168517D+01 -0.325285D+01  0.260132D+01 -0.283149D+01 -0.166029D+00
      3  -0.325285D+01 -0.160369D+01  0.978194D+00 -0.166029D+00 -0.113528D+01
               121           122           123           124           125 
      1  -0.698259D+01 -0.624257D+00  0.128989D+00 -0.811431D+00  0.931656D+00
      2  -0.624257D+00 -0.205441D+01  0.104550D+01  0.931656D+00  0.107958D+01
      3   0.128989D+00  0.104550D+01 -0.195966D+01 -0.969194D+00 -0.354250D+01
               126           127           128           129           130 
      1  -0.969194D+00 -0.324717D+01  0.228510D+01  0.234220D+00  0.238357D+01
      2  -0.354250D+01  0.228510D+01 -0.271121D+01 -0.301467D+00 -0.283088D+01
      3  -0.268325D+01  0.234220D+00 -0.301467D+00 -0.418521D+00 -0.530791D+00
               131           132           133           134           135 
      1  -0.283088D+01 -0.530791D+00  0.153643D+00 -0.431011D+00 -0.200692D-01
      2   0.579607D+01  0.802951D+00 -0.431011D+00  0.976633D+00  0.147294D+00
      3   0.802951D+00  0.780742D+00 -0.200692D-01  0.147294D+00  0.177284D+00
               136           137           138           139           140 
      1   0.219174D+01  0.253808D+01  0.626554D+00  0.222975D+01  0.365811D+01
      2   0.253808D+01  0.280603D+01  0.656089D+00  0.365811D+01  0.908946D+01
      3   0.626554D+00  0.656089D+00  0.475813D+00  0.834711D+00  0.192004D+01
               141           142           143           144           145 
      1   0.834711D+00  0.649569D+00  0.948308D+00  0.203775D+00  0.127621D+02
      2   0.192004D+01  0.948308D+00  0.205777D+01  0.388029D+00  0.121486D+01
      3   0.121276D+01  0.203775D+00  0.388029D+00  0.250019D+00  0.953639D+00
               146           147           148           149           150 
      1   0.121486D+01  0.953639D+00  0.115324D+01  0.161652D+01  0.438554D+00
      2   0.843289D+00  0.789569D-01  0.161652D+01  0.459117D+00  0.150780D+00
      3   0.789569D-01  0.889792D+00  0.438554D+00  0.150780D+00  0.148538D+00
               151           152           153           154           155 
      1   0.107497D+01  0.433701D+00 -0.350179D-01  0.475002D+01 -0.376304D+01
      2   0.433701D+00  0.124789D+00  0.161467D-01 -0.376304D+01  0.347476D+01
      3  -0.350179D-01  0.161467D-01  0.121153D+00 -0.574431D+00  0.445281D+00
               156           157           158           159           160 
      1  -0.574431D+00 -0.364008D+01  0.434179D+01  0.800713D+00 -0.532955D+00
      2   0.445281D+00  0.434179D+01 -0.643823D+01 -0.104462D+01  0.660677D+00
      3   0.565085D+00  0.800713D+00 -0.104462D+01 -0.853823D+00  0.103349D+00
               161           162           163           164           165 
      1   0.660677D+00  0.103349D+00 -0.151827D+01 -0.174195D+01 -0.473059D+00
      2  -0.123927D+01 -0.129034D+00 -0.174195D+01 -0.216557D+01 -0.588647D+00
      3  -0.129034D+00 -0.136678D+00 -0.473059D+00 -0.588647D+00 -0.339300D+00
               166           167           168           169           170 
      1  -0.154035D+01 -0.203794D+01 -0.488732D+00 -0.508338D+00 -0.671440D+00
      2  -0.203794D+01 -0.809194D+01 -0.186396D+01 -0.671440D+00 -0.199570D+01
      3  -0.488732D+00 -0.186396D+01 -0.120645D+01 -0.703520D-01 -0.491405D+00
               171 
      1  -0.703520D-01
      2  -0.491405D+00
      3  -0.293317D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.298719D+00  0.291432D+01  0.258625D+01  0.317810D+00 -0.333045D+01
      2  -0.401401D+01 -0.370859D+01  0.134268D+02 -0.380788D+00  0.800925D+00
      3   0.381908D+01 -0.101948D+02  0.546036D+01 -0.286425D+01  0.541426D+01
                 6             7             8             9            10 
      1  -0.252503D+01 -0.128278D+01  0.431144D+01 -0.520465D+01 -0.123919D+01
      2   0.107079D+01  0.543513D+01  0.377562D+01 -0.107701D+02  0.389451D+01
      3  -0.283252D+01  0.296052D+01  0.918418D+00 -0.370080D+01 -0.228542D+01
                11            12            13            14            15 
      1  -0.522465D+00  0.928381D-01  0.172181D+01  0.347044D+01 -0.606034D+00
      2   0.186056D+01 -0.342626D+01  0.669475D+00 -0.770875D+01 -0.231605D+01
      3   0.141158D+01 -0.622009D+00  0.123449D+02  0.495609D+01  0.941880D+01
                16            17            18            19            20 
      1   0.368593D+01  0.270342D+01 -0.102230D+01 -0.112011D+00 -0.518489D+00
      2  -0.160442D+02 -0.487404D+01  0.313362D+01  0.521262D+01  0.209573D+01
      3   0.237971D+00  0.921053D+01  0.936818D+00  0.219098D+01  0.210855D+01
                21            22            23            24            25 
      1  -0.200758D+01 -0.186706D+00 -0.169886D+00 -0.126145D+01 -0.609574D+00
      2  -0.622645D+01  0.459449D+00  0.247637D+01 -0.389259D+01 -0.504934D+01
      3  -0.294335D+01  0.166854D+01  0.270108D+01 -0.259415D+01 -0.124248D+01
                26            27            28            29            30 
      1   0.102645D+01  0.458621D+01 -0.441657D+00 -0.133232D+00 -0.106233D+01
      2  -0.555237D+01  0.167546D+02  0.847974D+00  0.378568D+00  0.247605D+01
      3  -0.355607D+01  0.766309D+01 -0.326274D+01 -0.252527D+01 -0.477996D+00
                31            32            33            34            35 
      1  -0.395780D+00  0.750565D+00 -0.351287D+01 -0.737745D+00  0.641358D+00
      2  -0.341681D+00  0.391649D+01  0.447866D+01  0.587473D+00  0.276764D+01
      3   0.127223D+01 -0.115918D+02 -0.458439D+01  0.247031D+00 -0.465376D+01
                36            37            38            39            40 
      1  -0.217943D+01  0.288414D+01 -0.327789D+01 -0.524913D+00 -0.133505D+00
      2   0.355084D+01 -0.130507D+02 -0.456214D+01  0.112474D+02 -0.374313D+01
      3  -0.295565D+01  0.108555D+01 -0.951942D+01  0.152971D+01 -0.245210D+01
                41            42            43            44            45 
      1  -0.242705D+01 -0.100150D+02 -0.193968D+01 -0.487376D+01  0.398627D-01
      2   0.139978D+02  0.879514D+00  0.681687D+01  0.233052D+01  0.697835D+00
      3  -0.919514D-01 -0.142833D+02 -0.270067D+00 -0.130930D+02 -0.146929D+00
                46            47            48            49            50 
      1  -0.756170D+00  0.323529D-01  0.114789D+00 -0.119845D+01 -0.363227D+01
      2  -0.405826D+01 -0.923589D+00 -0.100084D+01 -0.121985D+01  0.747579D+00
      3   0.103984D+01  0.600633D+01  0.119962D+01  0.174191D+02  0.160952D+01
                51            52            53            54            55 
      1   0.137028D+01 -0.597117D+00  0.105048D+02  0.265312D+01 -0.968919D+00
      2   0.482954D+00 -0.148320D+02  0.640417D+00 -0.764742D+00  0.101984D+02
      3  -0.140663D+01  0.106231D+00 -0.712396D+00  0.176308D+00  0.267434D+01
                56            57            58            59            60 
      1  -0.194080D+01 -0.117476D+01 -0.153068D+01 -0.181803D+00 -0.190495D+00
      2   0.128124D+01  0.628764D+01  0.142700D+01 -0.414173D+00  0.887610D+00
      3  -0.586453D+01 -0.235146D+00 -0.197494D+01 -0.102831D+01  0.158436D+01
                61            62            63            64            65 
      1  -0.496773D+00  0.966035D+00 -0.252197D+00  0.156094D+01  0.133704D+01
      2   0.126367D+01  0.143296D+00  0.124143D+01 -0.147983D+01 -0.121157D+01
      3  -0.113968D+00  0.123400D+01  0.342096D+00  0.267962D+01  0.117616D+01
                66            67            68            69            70 
      1   0.148493D+00  0.490004D+00  0.788156D+01  0.307909D+01 -0.223216D+00
      2  -0.198820D+01 -0.170244D+01 -0.711004D+01 -0.756805D+01 -0.212617D+01
      3   0.203385D+00  0.210802D+01  0.107091D+02  0.691443D+01 -0.403059D+00
                71            72            73            74            75 
      1   0.555301D+01  0.357452D+01 -0.127775D+01  0.207202D+01  0.492913D+00
      2  -0.421830D+01 -0.767030D+01 -0.283274D+01  0.294870D+01 -0.334160D+01
      3   0.592309D+01  0.456612D+01 -0.359458D+01  0.366082D+01 -0.214451D+01
                76            77            78            79            80 
      1   0.102232D+01 -0.472643D+01  0.235914D+00  0.205285D+00  0.363108D+01
      2   0.315308D+01 -0.760938D+01  0.638451D+01 -0.331797D+01  0.479818D+01
      3   0.428687D+01 -0.102384D+02  0.678609D+01 -0.119317D+01  0.568439D+01
                81            82            83            84            85 
      1  -0.277595D+00 -0.259191D+00 -0.487097D+00  0.342168D+01 -0.100297D+01
      2  -0.718929D+01  0.199485D+01  0.318638D+00 -0.163527D+01  0.380071D+01
      3  -0.496143D+01 -0.430665D+00  0.108313D+01  0.747252D+00  0.225554D+01
                86            87            88            89            90 
      1   0.344927D+00 -0.241214D+01  0.713852D+01  0.315540D+01  0.495197D+00
      2   0.735466D+00  0.650510D+00 -0.119712D+02 -0.254883D+00  0.393305D+00
      3  -0.704025D+01  0.728337D+00 -0.133757D+01  0.108903D+00 -0.580803D+01
                91            92            93            94            95 
      1  -0.249359D-01  0.106191D+01 -0.235014D+01  0.154619D+01  0.127431D+00
      2  -0.689626D+00  0.249905D+01  0.299385D+00  0.127507D+01 -0.317311D+01
      3   0.311055D+01 -0.131857D+02 -0.229203D+01  0.309870D+01 -0.126774D+01
                96            97            98            99           100 
      1  -0.375802D+01 -0.504473D+01  0.830302D+00 -0.121665D+01  0.320881D+00
      2   0.578577D+01 -0.808741D+01  0.902875D+01  0.407427D+01  0.295648D+00
      3   0.181270D+01 -0.500424D+00  0.229890D+01 -0.454940D+01 -0.268205D+01
               101           102           103           104           105 
      1  -0.535318D+00 -0.115465D+01 -0.122244D+01 -0.279294D+01  0.252656D+01
      2  -0.517604D+00  0.871879D+01 -0.470553D+01  0.510681D-01  0.112853D+01
      3  -0.732614D+01  0.321483D+00  0.116802D+02 -0.189417D+01  0.127569D+01
               106           107           108           109           110 
      1  -0.217399D+01  0.111017D+02  0.282631D+01 -0.247908D+00 -0.953585D+00
      2   0.798583D+01  0.209562D+01  0.254449D+01 -0.953029D+00  0.164122D+01
      3   0.390596D+01  0.897090D+00 -0.628310D+00  0.380759D+01 -0.107096D+02
               111           112           113           114           115 
      1   0.329429D+01 -0.132349D+01 -0.786055D-01 -0.229550D+01  0.693777D+01
      2   0.278035D+01 -0.731779D+00  0.340138D+01 -0.641613D+01 -0.376115D+01
      3  -0.185867D+01  0.695953D+01  0.183044D+01 -0.217563D+01  0.822451D-02
               116           117           118           119           120 
      1   0.348928D+01  0.105565D+01  0.642974D-01  0.139134D+01 -0.259809D+01
      2  -0.994690D+01 -0.436848D+01  0.344706D+01  0.158340D+01 -0.150420D+01
      3  -0.332399D+01  0.416145D+01 -0.558239D+01 -0.279030D+01 -0.221373D+01
               121           122           123           124           125 
      1   0.110005D+01  0.991177D+00 -0.298352D+01 -0.497953D+01  0.962488D+00
      2   0.137791D+01 -0.732700D+00 -0.132689D+01 -0.131811D+02 -0.138704D+01
      3   0.336812D+01  0.678069D+01  0.125298D+00 -0.187039D+01 -0.398873D+00
               126           127           128           129           130 
      1  -0.968195D+00  0.200224D+00 -0.531733D+00  0.219046D+01  0.243303D+00
      2  -0.241968D+01  0.160732D+01 -0.716405D+00  0.797048D+00 -0.712330D+00
      3   0.518034D+01 -0.883383D+01  0.337774D+01  0.293715D+00  0.643881D+01
               131           132           133           134           135 
      1  -0.474416D-01 -0.308456D+01 -0.750673D-01  0.193815D+01 -0.143195D+00
      2   0.107642D+01 -0.114912D+01 -0.164924D+01  0.395448D+00 -0.253501D+00
      3  -0.488280D+01 -0.121223D+01 -0.222321D+00 -0.891877D+00 -0.189080D+00
               136           137           138           139           140 
      1  -0.157858D+00  0.825795D-01 -0.162864D+01 -0.157053D+00  0.475575D+00
      2   0.238513D+00  0.570104D+00  0.162141D+01  0.494834D+00  0.272601D+01
      3  -0.704800D+00 -0.261487D+01 -0.435129D+00 -0.111995D+01 -0.131017D+02
               141           142           143           144           145 
      1  -0.431140D+01  0.597528D+00  0.201126D+01 -0.559543D+00 -0.957017D-01
      2   0.316667D+01 -0.690117D+00 -0.357551D-01  0.644007D+00  0.107316D+01
      3  -0.250545D+01 -0.334054D+00 -0.299980D+01 -0.520244D+00 -0.624858D+00
               146           147           148           149           150 
      1   0.353737D+00 -0.581195D+00  0.468136D-01  0.331722D-01 -0.474884D+00
      2  -0.757064D-02  0.605520D+01  0.151892D+01  0.341555D+00  0.827195D+00
      3  -0.532283D+01  0.431194D-01 -0.372944D+01 -0.135875D+01 -0.382365D+00
               151           152           153           154           155 
      1   0.397796D+00  0.563180D+00 -0.227100D-01  0.140459D+00 -0.519485D+00
      2  -0.295961D+01 -0.189350D+00  0.403610D+00  0.759766D-02  0.712888D-01
      3  -0.121246D+01 -0.702725D+00 -0.616864D-02  0.134091D+01 -0.474470D+01
               156           157           158           159           160 
      1   0.217673D+01  0.287437D+00  0.157805D+00 -0.331292D+01 -0.886810D+00
      2   0.276721D+01  0.801367D+00 -0.146699D+01 -0.328174D+01 -0.946580D+00
      3  -0.225565D+00 -0.311636D+01  0.106955D+02  0.134889D+01 -0.927054D+00
               161           162           163           164           165 
      1   0.167767D+01 -0.300981D+00  0.111626D+00  0.174792D+00 -0.143613D+01
      2   0.587695D+00 -0.372433D+00 -0.146937D+01 -0.107108D+01  0.230132D+00
      3   0.211495D+01  0.103087D+00  0.586039D+01  0.350009D+01  0.111827D+01
               166           167           168           169           170 
      1   0.105296D+00  0.624266D+00 -0.405253D+01  0.476673D+00  0.228051D+01
      2  -0.144028D+01 -0.205598D+01  0.207855D+00 -0.192230D+01 -0.498338D+00
      3   0.680588D+01  0.819304D+01  0.225275D+01  0.216108D+01  0.194219D+01
               171 
      1  -0.552214D+00
      2   0.999543D-01
      3   0.336730D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.277160D+02 -0.195369D+01 -0.223264D+01 -0.896930D+01  0.296886D+01
      2  -0.156393D+02 -0.141007D+01 -0.621575D+01  0.399144D+01  0.766101D+01
      3  -0.120766D+02  0.336376D+01  0.844840D+01  0.497786D+01 -0.106299D+02
      4  -0.149895D+02  0.164387D+02 -0.717423D+01  0.199143D+02 -0.119410D+02
      5   0.124215D+02 -0.838030D+01  0.238440D+02 -0.120784D+02  0.956942D+01
      6  -0.477631D+01  0.445594D+01 -0.680891D+01  0.753481D+01 -0.367205D+01
                 6             7             8             9            10 
      1  -0.613270D+01 -0.141593D+01 -0.326812D+01  0.183237D+02  0.427674D+01
      2   0.293738D+01 -0.309234D+01 -0.204920D+01 -0.517048D+01  0.119412D+01
      3   0.319532D+01  0.450826D+01  0.531732D+01 -0.131532D+02 -0.547086D+01
      4   0.939847D+01 -0.614983D+01  0.394486D+00 -0.171798D+01  0.372449D+01
      5  -0.461426D+01  0.200579D+02 -0.277032D+00 -0.551767D+01  0.546091D+01
      6   0.549432D+01 -0.400691D+01  0.201295D+01  0.427415D+01  0.265477D+01
                11            12            13            14            15 
      1   0.166135D+01 -0.246418D+01  0.107987D+02  0.180390D+01  0.713432D+01
      2   0.159484D+00 -0.224136D+01 -0.812977D+01 -0.881000D+01 -0.128095D+02
      3  -0.182083D+01  0.470554D+01 -0.266897D+01  0.700610D+01  0.567522D+01
      4  -0.110786D+02  0.474288D+01 -0.170509D+02 -0.154134D+02 -0.198247D+02
      5   0.489904D+01 -0.174002D+02  0.131361D+02 -0.187631D+02 -0.159397D+01
      6  -0.631606D+00 -0.167676D+00 -0.775397D+01 -0.942491D+01 -0.645263D+01
                16            17            18            19            20 
      1   0.588588D+01  0.688625D+01 -0.762865D+01 -0.327293D+01 -0.341947D+01
      2  -0.105648D+02 -0.582850D+01  0.887888D+01  0.548885D+00  0.472671D+00
      3   0.467891D+01 -0.105774D+01 -0.125023D+01  0.272404D+01  0.294680D+01
      4   0.115276D+02 -0.145828D+02 -0.784971D+01  0.415289D+00 -0.253730D+01
      5  -0.324170D+02 -0.761026D+01  0.651563D+01  0.115223D+01  0.207465D+01
      6  -0.575066D+01 -0.795201D+01  0.177059D+01 -0.662806D+00 -0.247095D+01
                21            22            23            24            25 
      1   0.102497D+02 -0.169792D+01 -0.486859D+01  0.493418D+01  0.705105D+01
      2   0.462412D+00  0.261023D+00  0.203240D+01 -0.114065D+01 -0.266812D+01
      3  -0.107121D+02  0.143689D+01  0.283619D+01 -0.379353D+01 -0.438293D+01
      4   0.125632D+01  0.230009D+01 -0.436375D+01  0.348160D+01 -0.236432D+01
      5  -0.577467D+01 -0.470161D+00  0.339862D+01 -0.536068D+01  0.373614D+01
      6   0.447590D+01 -0.197754D+00 -0.403304D+01  0.731336D+01  0.916733D+00
                26            27            28            29            30 
      1   0.616467D+01 -0.207309D+02  0.300897D+01  0.311296D+01  0.238444D+01
      2   0.329890D+00 -0.690121D+01  0.530474D+00 -0.228578D+00 -0.293889D+00
      3  -0.649456D+01  0.276321D+02 -0.353944D+01 -0.288438D+01 -0.209055D+01
      4   0.463253D+01 -0.628007D+01  0.846598D+01  0.100835D+02  0.330995D+01
      5  -0.753442D+01  0.231400D+02  0.380679D+01  0.332212D+01  0.720789D+01
      6   0.680846D+01 -0.123260D+02  0.400786D+01  0.183891D+01  0.158646D+01
                31            32            33            34            35 
      1   0.177077D+01 -0.964424D+01 -0.468990D+01  0.758054D+00 -0.515179D+01
      2   0.232847D+01  0.174661D+02  0.567939D+01  0.863506D+00  0.422999D+01
      3  -0.409924D+01 -0.782186D+01 -0.989485D+00 -0.162156D+01  0.921794D+00
      4   0.132407D+02  0.265994D+02  0.100742D+02  0.474839D+01  0.106408D+02
      5   0.402594D+01  0.985858D+01  0.102276D+02  0.890661D+01  0.827542D+01
      6   0.406455D+01  0.140266D+02  0.962056D+01  0.389755D+01  0.109979D+02
                36            37            38            39            40 
      1  -0.444632D+01 -0.563791D+02 -0.134877D+02  0.819940D+01 -0.128535D+02
      2   0.755508D+00  0.233934D+02  0.788319D+01  0.853686D+00  0.699402D+01
      3   0.369081D+01  0.329857D+02  0.560449D+01 -0.905309D+01  0.585944D+01
      4   0.868100D+01 -0.172496D+02  0.871475D+01 -0.282945D+01  0.744792D+01
      5   0.864460D+01  0.105691D+02 -0.467251D+00  0.147293D+02 -0.257628D+01
      6   0.889655D+01  0.341598D+01 -0.702554D+01  0.375527D+01 -0.277571D+01
                41            42            43            44            45 
      1   0.188324D+02 -0.410368D+01 -0.486181D+01 -0.648755D+01  0.138931D+02
      2  -0.388214D+01  0.941497D+01  0.121537D+02  0.910469D+01 -0.140619D+02
      3  -0.149502D+02 -0.531129D+01 -0.729188D+01 -0.261714D+01  0.168814D+00
      4   0.500844D+01  0.192968D+02 -0.822085D+01  0.159248D+02  0.792277D+01
      5   0.145358D+02  0.563386D+01  0.259804D+02  0.775164D+01 -0.125239D+02
      6   0.194799D+01 -0.131668D+02  0.689931D+01 -0.967503D+01 -0.306143D+01
                46            47            48            49            50 
      1  -0.162030D+02 -0.283946D+01 -0.337350D+01  0.324229D+01 -0.774635D+01
      2   0.279533D+01  0.182077D+01 -0.108799D+01 -0.460925D+01  0.141514D+02
      3   0.134077D+02  0.101869D+01  0.446149D+01  0.136696D+01 -0.640505D+01
      4   0.228979D+01  0.424198D+01 -0.110518D+01 -0.101774D+02 -0.151426D+01
      5  -0.686788D+01 -0.156733D+01  0.239035D+01 -0.445382D+01  0.141039D+01
      6  -0.378907D+01  0.644919D+00  0.773804D+00 -0.309974D+01  0.560081D+01
                51            52            53            54            55 
      1  -0.661961D+00 -0.619701D+01 -0.183561D+01 -0.825986D+01  0.866522D+02
      2   0.658610D+01 -0.118656D+01  0.383034D+01 -0.384672D+01 -0.436112D+02
      3  -0.592414D+01  0.738357D+01 -0.199473D+01  0.121066D+02 -0.430410D+02
      4   0.118438D+01 -0.516776D+01  0.225602D+01  0.155180D+01  0.207949D+02
      5   0.582262D+00  0.614461D+01  0.117319D+01 -0.801705D+00 -0.276541D+02
      6  -0.264066D+01  0.430744D+00  0.684731D+01 -0.319382D+01 -0.405808D+01
                56            57            58            59            60 
      1   0.882658D+01 -0.495185D+01  0.801979D+01  0.555790D+01  0.398726D+00
      2  -0.275262D+01  0.622513D+01 -0.231302D+01 -0.197228D+01 -0.191889D+00
      3  -0.607397D+01 -0.127328D+01 -0.570678D+01 -0.358562D+01 -0.206837D+00
      4   0.132277D+02 -0.203213D+01  0.136832D+02  0.505269D+01 -0.285276D+01
      5  -0.339214D+01  0.142612D+02 -0.295608D+01 -0.381150D+01  0.170129D+01
      6  -0.330226D+01  0.228545D+01 -0.240924D+01 -0.129582D+01  0.302441D+01
                61            62            63            64            65 
      1   0.683555D+01  0.137632D+01  0.462224D+01  0.387430D+01 -0.228345D+01
      2  -0.124191D+01 -0.537593D+00 -0.311631D+01 -0.208448D+01  0.110811D+01
      3  -0.559364D+01 -0.838729D+00 -0.150592D+01 -0.178981D+01  0.117534D+01
      4   0.219322D+01 -0.356255D+00  0.130613D+01 -0.138385D+01 -0.394443D+00
      5   0.739657D+01  0.629960D+00 -0.215462D+00 -0.155404D+01  0.164701D+01
      6   0.115058D+01  0.198702D+01  0.465298D-01  0.212247D+01  0.177628D+01
                66            67            68            69            70 
      1  -0.467334D+01 -0.614066D+01 -0.846171D+01 -0.562544D+01 -0.339642D+01
      2   0.132839D+00  0.429990D+01  0.151838D+01 -0.539211D+01  0.225832D+01
      3   0.454050D+01  0.184076D+01  0.694332D+01  0.110176D+02  0.113809D+01
      4   0.282495D+00  0.273623D+01 -0.184580D+02 -0.119948D+02  0.148511D+01
      5  -0.861664D+00  0.779959D+01 -0.997848D+01 -0.143169D+02  0.431407D+01
      6   0.150844D+00 -0.615593D+00  0.129676D+02  0.105540D+02 -0.725289D+00
                71            72            73            74            75 
      1  -0.411770D+01 -0.977568D+01 -0.272654D+00  0.827601D+01 -0.749793D+01
      2  -0.411754D+01 -0.542163D+01  0.812395D+00 -0.527166D+01  0.133293D+01
      3   0.823524D+01  0.151973D+02 -0.539741D+00 -0.300435D+01  0.616500D+01
      4  -0.103488D+02 -0.810176D+01  0.188790D+01 -0.239187D+01  0.135373D+01
      5  -0.686576D+01 -0.127550D+02  0.120807D+00 -0.270344D+00 -0.241809D+01
      6   0.977508D+01  0.757266D+01 -0.338235D+01  0.554836D+01 -0.467141D+01
                76            77            78            79            80 
      1   0.831565D+01 -0.174412D+02  0.117311D+02 -0.386009D+01  0.971496D+01
      2  -0.464385D+01  0.138644D+02 -0.392473D+01  0.997172D+00 -0.294629D+01
      3  -0.367180D+01  0.357681D+01 -0.780637D+01  0.286292D+01 -0.676866D+01
      4   0.301543D+01  0.154215D+02 -0.105640D+02 -0.364494D+00 -0.873464D+01
      5  -0.444945D+01 -0.794856D+01  0.847877D+01  0.272774D+01  0.526362D+01
      6   0.974767D+00 -0.169995D+02  0.146360D+02 -0.137499D+01  0.128804D+02
                81            82            83            84            85 
      1  -0.140549D+02 -0.288421D+00  0.182360D+02  0.463741D+01 -0.470966D+01
      2   0.719108D+00 -0.580380D+00 -0.130303D+02  0.855789D+00  0.135247D+02
      3   0.133358D+02  0.868800D+00 -0.520570D+01 -0.549320D+01 -0.881500D+01
      4   0.603184D+01  0.107884D+02 -0.127340D+02 -0.669874D+00  0.362699D+01
      5  -0.876958D+01  0.283161D+01 -0.119432D+01 -0.279084D+01  0.290364D+01
      6  -0.117906D+02  0.230633D+01 -0.858206D+00 -0.700170D+01  0.799793D+01
                86            87            88            89            90 
      1   0.124856D+01  0.491133D+01 -0.176040D+01  0.557016D+01 -0.142417D+02
      2  -0.499161D+01 -0.299583D+01  0.713097D+01 -0.725233D+01  0.196638D+01
      3   0.374305D+01 -0.191550D+01 -0.537057D+01  0.168217D+01  0.122753D+02
      4   0.137871D+02  0.277047D+01  0.313249D+01  0.747892D+00  0.315306D+01
      5   0.259845D+01 -0.713728D+00  0.269154D+01  0.208538D+01 -0.739564D+00
      6  -0.548657D+01  0.557344D+01 -0.366021D+01  0.115722D+02 -0.204476D+00
                91            92            93            94            95 
      1   0.821715D+01 -0.229389D+02 -0.262609D+01  0.220292D+02  0.112507D+02
      2  -0.786432D+01  0.155131D+02  0.544093D+00 -0.194621D+02 -0.146773D+02
      3  -0.352834D+00  0.742579D+01  0.208200D+01 -0.256716D+01  0.342659D+01
      4  -0.152642D+02 -0.512299D+01 -0.310859D+01  0.122987D+02 -0.160765D+01
      5  -0.526694D+01 -0.184364D+01 -0.231817D+01  0.183844D+00 -0.675228D+01
      6  -0.416196D+01 -0.161410D+01  0.493147D+01 -0.507040D+01 -0.106724D+02
                96            97            98            99           100 
      1   0.302974D+01  0.443584D+01  0.286407D+00 -0.589957D+01 -0.852677D+01
      2  -0.686437D+01 -0.736164D+01 -0.827708D+01 -0.481377D+01  0.526762D+01
      3   0.383462D+01  0.292579D+01  0.799068D+01  0.107133D+02  0.325915D+01
      4  -0.631560D+01 -0.322242D+01 -0.897747D+01  0.138728D+02 -0.160135D+01
      5   0.118372D+02  0.128870D+02  0.141744D+02  0.897609D+01 -0.403064D+01
      6   0.645026D+01  0.557008D+01  0.146344D+02  0.338609D+01  0.343711D+00
               101           102           103           104           105 
      1  -0.338517D+01 -0.515099D+01  0.102401D+02 -0.213638D+02 -0.747100D+01
      2   0.264687D+01  0.180816D+01 -0.880282D+01  0.190447D+02  0.101398D+02
      3   0.738302D+00  0.334283D+01 -0.143729D+01  0.231913D+01 -0.266882D+01
      4   0.236492D+02  0.210745D+00 -0.208195D+02 -0.360323D+01 -0.353750D+01
      5  -0.117498D+00  0.198959D+02 -0.124063D+02 -0.134548D+01  0.212915D+01
      6   0.333916D+00  0.245115D+01 -0.300789D+01  0.416381D+01 -0.459934D+01
               106           107           108           109           110 
      1  -0.379203D+01 -0.828425D+01  0.139582D+02 -0.264520D+01  0.243847D+02
      2  -0.504535D+00  0.602285D+01 -0.170228D+02 -0.132959D+01 -0.158519D+02
      3   0.429657D+01  0.226140D+01  0.306464D+01  0.397479D+01 -0.853281D+01
      4  -0.129861D+02 -0.120208D+01  0.215805D+01  0.149086D+02  0.438579D+01
      5   0.356978D+02  0.309854D+01  0.572631D+01 -0.211175D+00  0.915390D+00
      6   0.147451D+01  0.643432D+01 -0.421333D+01  0.778007D+00 -0.150710D+01
               111           112           113           114           115 
      1   0.521697D+01 -0.286273D+02  0.473675D+01  0.110870D+01 -0.842449D+01
      2   0.517550D+00  0.270131D+02 -0.800627D+01 -0.142707D+01  0.100727D+02
      3  -0.573452D+01  0.161426D+01  0.326952D+01  0.318364D+00 -0.164823D+01
      4   0.240069D+01  0.250308D+01  0.884863D+01  0.932522D+01 -0.149157D+01
      5   0.572387D+01 -0.499549D+01  0.788209D+01 -0.132674D+02  0.196226D+02
      6  -0.783564D+01  0.728885D+01 -0.644604D+01  0.494501D+01 -0.650638D+01
               116           117           118           119           120 
      1   0.435126D+01  0.210700D+01  0.122110D+02 -0.119347D+02  0.979461D-01
      2  -0.807347D+01 -0.865689D+01 -0.755596D+01  0.931872D+01 -0.108564D+01
      3   0.372221D+01  0.654989D+01 -0.465507D+01  0.261597D+01  0.987698D+00
      4   0.831397D+01 -0.148095D+02 -0.572864D+01 -0.193595D+02 -0.326503D+01
      5  -0.148566D+02 -0.909439D+01  0.135993D+01 -0.232198D+01 -0.571198D+01
      6   0.125426D+02 -0.378819D+00 -0.158386D+01 -0.185760D+01  0.566195D+01
               121           122           123           124           125 
      1  -0.623750D-01  0.753699D+01  0.393661D+01  0.167338D+01  0.305957D+01
      2  -0.891040D+01 -0.115383D+02 -0.755476D+01 -0.408378D+01 -0.979509D+01
      3   0.897278D+01  0.400133D+01  0.361814D+01  0.241041D+01  0.673552D+01
      4   0.111469D+02 -0.138833D+02 -0.217082D+01 -0.635532D+00 -0.321079D+01
      5  -0.711819D+00 -0.247830D+01 -0.103642D+01  0.369494D+01 -0.569202D+01
      6  -0.516026D+01 -0.995047D+01  0.442947D+01  0.168458D+01  0.132465D+02
               126           127           128           129           130 
      1  -0.156377D+02 -0.467876D+01  0.753889D+01  0.890682D+00  0.813938D+01
      2   0.914677D-01  0.656683D+01 -0.108164D+02 -0.106738D+01 -0.111636D+02
      3   0.155462D+02 -0.188807D+01  0.327748D+01  0.176702D+00  0.302419D+01
      4  -0.696509D+01 -0.857415D+01  0.861863D+01  0.974298D+00  0.805814D+01
      5  -0.404639D+01 -0.878593D+00  0.108098D+01  0.201471D+01  0.135701D+01
      6   0.461250D+01  0.874363D+00 -0.136351D+01 -0.231396D+01 -0.231472D+01
               131           132           133           134           135 
      1  -0.201971D+02 -0.330234D+01  0.144454D+01 -0.327719D+01 -0.541377D+00
      2   0.275003D+02  0.264247D+01 -0.191292D+01  0.396707D+01  0.117854D+01
      3  -0.730317D+01  0.659871D+00  0.468374D+00 -0.689882D+00 -0.637165D+00
      4  -0.896204D+01 -0.100388D+01  0.116171D+01 -0.101052D+01 -0.181560D+01
      5  -0.124678D+01 -0.140028D+01  0.957131D+00 -0.604749D+00 -0.758023D+00
      6   0.442460D+01  0.502016D+01 -0.790242D+00  0.173070D+01  0.137303D+01
               136           137           138           139           140 
      1   0.533391D+01  0.440901D+01  0.827559D+00 -0.696432D+00 -0.150934D+02
      2   0.314937D+01  0.526462D+01  0.418835D+00  0.108925D+02  0.363291D+02
      3  -0.848328D+01 -0.967363D+01 -0.124639D+01 -0.101960D+02 -0.212357D+02
      4   0.179357D+02  0.226758D+02  0.482754D+01  0.236037D+02  0.452145D+02
      5   0.414311D+01  0.483930D+01  0.462506D+01  0.513834D+01  0.911760D+01
      6   0.316692D+01  0.385669D+01  0.275373D+01  0.506567D+01  0.124001D+02
               141           142           143           144           145 
      1  -0.335136D+01  0.225555D+00 -0.275987D+01 -0.158129D+01  0.968170D+02
      2   0.513837D+01  0.188733D+01  0.694659D+01  0.256405D+01 -0.543899D+02
      3  -0.178701D+01 -0.211288D+01 -0.418672D+01 -0.982752D+00 -0.424271D+02
      4   0.920960D+01  0.570063D+01  0.105990D+02  0.319996D+01  0.127021D+02
      5   0.587526D+01  0.196177D+01  0.259167D+01  0.198151D+01  0.963313D+01
      6   0.881356D+01  0.190645D+01  0.420441D+01  0.303254D+01 -0.175188D+01
               146           147           148           149           150 
      1   0.850311D+01  0.610392D+01  0.720618D+01  0.922298D+01  0.185144D+01
      2  -0.415945D+01 -0.414615D+01 -0.319750D+01 -0.413755D+01 -0.156496D+01
      3  -0.434366D+01 -0.195777D+01 -0.400868D+01 -0.508543D+01 -0.286483D+00
      4   0.951698D+01  0.677612D+00  0.151109D+02  0.409392D+01  0.134457D+01
      5   0.720856D+00  0.101196D+02  0.363488D+01  0.150443D+01  0.136318D+01
      6   0.325266D+00  0.545070D+00  0.823753D+00 -0.599012D-01  0.168072D+01
               151           152           153           154           155 
      1   0.779432D+01  0.206311D+01  0.261879D+01  0.209619D+02 -0.131881D+02
      2  -0.424773D+01 -0.109642D+01 -0.154434D+01 -0.343610D+01 -0.143261D+01
      3  -0.354658D+01 -0.966693D+00 -0.107446D+01 -0.175258D+02  0.146208D+02
      4   0.400836D+01  0.152397D+01  0.658793D+00 -0.320719D+02  0.297902D+02
      5   0.187873D+01  0.373326D+00  0.129396D+01 -0.544788D+01  0.392625D+01
      6   0.945383D-01  0.558862D+00  0.517725D+00  0.206904D+01 -0.184049D+01
               156           157           158           159           160 
      1  -0.230114D+01 -0.908760D+01  0.331963D+01  0.674311D+00 -0.641581D+00
      2   0.698814D+00 -0.619849D+01  0.167263D+02  0.822885D+00 -0.135909D+01
      3   0.160233D+01  0.152861D+02 -0.200460D+02 -0.149720D+01  0.200067D+01
      4   0.386361D+01  0.330246D+02 -0.430973D+02 -0.675346D+01  0.515366D+01
      5   0.583238D+01  0.590191D+01 -0.697465D+01 -0.562607D+01  0.191820D+01
      6  -0.298590D+01 -0.373005D+01  0.522282D+01  0.585649D+01 -0.139837D+01
               161           162           163           164           165 
      1  -0.964504D-01 -0.866314D-01 -0.494317D+01 -0.847992D+01 -0.261498D+01
      2   0.284433D+01  0.103175D+01  0.630332D+01  0.102470D+02  0.192724D+01
      3  -0.274788D+01 -0.945115D+00 -0.136015D+01 -0.176705D+01  0.687742D+00
      4  -0.677263D+01 -0.227714D+01  0.372857D+01  0.721588D+01  0.134302D+01
      5  -0.176873D+01 -0.114559D+01  0.953153D+00  0.118761D+01  0.179519D+01
      6   0.204783D+01  0.163117D+01  0.242687D+01  0.369108D+01  0.241409D+01
               166           167           168           169           170 
      1  -0.743641D+01 -0.316225D+02 -0.774435D+01 -0.211510D+01 -0.756645D+01
      2   0.916370D+01  0.416419D+02  0.724905D+01  0.249904D+01  0.932549D+01
      3  -0.172729D+01 -0.100195D+02  0.495293D+00 -0.383940D+00 -0.175904D+01
      4   0.523135D+01 -0.403738D+00 -0.526871D+00  0.149169D+01  0.162490D+00
      5   0.101643D+01 -0.576266D+00  0.101146D+00  0.737490D+00  0.570938D+00
      6   0.292604D+01  0.123449D+02  0.861146D+01  0.966490D+00  0.428642D+01
               171 
      1  -0.274774D+01
      2   0.326119D+01
      3  -0.513445D+00
      4   0.128073D+01
      5   0.630225D+00
      6   0.311323D+01
 Leave Link  716 at Thu Aug 12 22:55:41 2021, MaxMem=  5368709120 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.128894D+03  0.778511D+00  0.541025D+00
      2   0.778511D+00  0.104940D+03  0.505840D+01
      3   0.541025D+00  0.505840D+01  0.751638D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.120317D+01  0.619009D+01  0.469470D+01
      2   0.197382D+01  0.127320D+02 -0.404797D+01
      3  -0.834348D+01 -0.428359D+02 -0.126617D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.981371D+02  0.444514D+01  0.547164D+01
      2  -0.351062D+02 -0.123321D+02 -0.158348D+02
      3  -0.630310D+02  0.788691D+01  0.103631D+02
      4  -0.137552D+02  0.849246D+02  0.292117D+02
      5   0.324673D+02  0.303000D+02 -0.147071D+02
      6   0.113835D+02  0.990222D+01 -0.673961D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.616690D+01  0.215109D+01 -0.131189D+01  0.392154D+01 -0.239045D+01
      2   0.215109D+01 -0.120341D+01  0.184415D+01 -0.239045D+01  0.126468D+01
      3  -0.131189D+01  0.184415D+01 -0.340813D+01  0.154507D+01 -0.143308D+01
                 6             7             8             9            10 
      1   0.154507D+01  0.535317D+00  0.100562D+01 -0.271631D+01  0.530627D+01
      2  -0.143308D+01  0.100562D+01  0.111552D+01 -0.591400D+00  0.153570D+00
      3  -0.157546D+00 -0.271631D+01 -0.591400D+00  0.382881D+01 -0.110000D+01
                11            12            13            14            15 
      1   0.153570D+00 -0.110000D+01 -0.303904D+00  0.290571D+01 -0.172414D+01
      2   0.577304D+00 -0.135321D+01  0.290571D+01  0.407664D+01  0.400532D+01
      3  -0.135321D+01  0.229792D+01 -0.172414D+01  0.400532D+01  0.106434D+01
                16            17            18            19            20 
      1  -0.447936D+01 -0.146760D+01  0.505279D+01  0.105453D+01  0.794380D-01
      2  -0.146760D+01  0.247494D+01  0.180823D+01  0.794380D-01  0.535842D+00
      3   0.505279D+01  0.180823D+01 -0.179814D+01 -0.533791D+00 -0.947123D+00
                21            22            23            24            25 
      1  -0.533791D+00  0.203991D+00 -0.221090D+00 -0.126058D+00 -0.170808D+01
      2  -0.947123D+00 -0.221090D+00  0.131454D+01 -0.119056D+01  0.437290D-01
      3   0.240533D+01 -0.126058D+00 -0.119056D+01  0.149421D+01  0.130546D+00
                26            27            28            29            30 
      1   0.437290D-01  0.130546D+00 -0.610610D+00 -0.139499D+01 -0.558600D+00
      2  -0.177466D+01  0.211893D+01 -0.139499D+01 -0.100832D+01 -0.353878D+00
      3   0.211893D+01 -0.720339D+01 -0.558600D+00 -0.353878D+00 -0.879854D+00
                31            32            33            34            35 
      1  -0.300040D+01 -0.206842D+01 -0.584015D+00 -0.655550D+00 -0.676597D+00
      2  -0.206842D+01 -0.592113D+01 -0.225900D+01 -0.676597D+00 -0.240226D+01
      3  -0.584015D+00 -0.225900D+01 -0.224051D+01 -0.131830D+01 -0.197691D+01
                36            37            38            39            40 
      1  -0.131830D+01  0.879358D+01  0.159994D+01  0.381104D+00  0.143225D+01
      2  -0.197691D+01  0.159994D+01 -0.183953D+01  0.930830D+00 -0.160707D+01
      3  -0.208359D+01  0.381104D+00  0.930830D+00 -0.296036D+01  0.123574D+01
                41            42            43            44            45 
      1  -0.160707D+01  0.123574D+01  0.593556D+01  0.154033D+01 -0.424702D+01
      2  -0.350767D+00 -0.436440D+01  0.154033D+01 -0.321176D+01 -0.112739D+01
      3  -0.436440D+01 -0.695525D+00 -0.424702D+01 -0.112739D+01  0.139075D+01
                46            47            48            49            50 
      1  -0.181183D+02 -0.185363D+01 -0.276715D-01 -0.333388D+01  0.158305D+01
      2  -0.185363D+01 -0.267830D+01  0.270133D+00  0.158305D+01 -0.447226D+00
      3  -0.276715D-01  0.270133D+00 -0.246219D+01  0.119698D+01 -0.176919D+00
                51            52            53            54            55 
      1   0.119698D+01 -0.848061D+00  0.122596D+01 -0.418303D+01 -0.140667D+02
      2  -0.176919D+00  0.122596D+01 -0.528207D+00 -0.580751D+00 -0.173421D+01
      3  -0.327449D-01 -0.418303D+01 -0.580751D+00 -0.706067D+00  0.160578D+01
                56            57            58            59            60 
      1  -0.173421D+01  0.160578D+01 -0.172167D+01 -0.142176D+01  0.178811D+00
      2  -0.119254D+01  0.210451D+00 -0.142176D+01 -0.573136D+00  0.555874D+00
      3   0.210451D+00 -0.150986D+01  0.178811D+00  0.555874D+00 -0.243122D+00
                61            62            63            64            65 
      1  -0.147574D+01 -0.266792D+00 -0.654590D+00 -0.286407D+00  0.583121D+00
      2  -0.266792D+00  0.434600D-01 -0.737419D-01  0.583121D+00  0.404262D+00
      3  -0.654590D+00 -0.737419D-01 -0.216556D+00  0.197514D+00  0.753466D-01
                66            67            68            69            70 
      1   0.197514D+00  0.190202D+01 -0.131978D+00 -0.811594D+00  0.671374D+00
      2   0.753466D-01 -0.131978D+00  0.365912D+01  0.242365D+01 -0.269620D+00
      3   0.878957D+00 -0.811594D+00  0.242365D+01  0.319383D+01 -0.104803D+00
                71            72            73            74            75 
      1  -0.269620D+00 -0.104803D+00  0.133288D-01 -0.899939D+00  0.493693D+00
      2   0.204868D+01  0.159462D+01 -0.899939D+00  0.123959D+01 -0.815194D+00
      3   0.159462D+01  0.318154D+01  0.493693D+00 -0.815194D+00  0.149211D+01
                76            77            78            79            80 
      1  -0.152047D+01  0.257725D+00 -0.377764D-01  0.452720D+00 -0.247149D+00
      2   0.257725D+00 -0.405821D+01  0.265693D+01 -0.247149D+00  0.214828D+01
      3  -0.377764D-01  0.265693D+01 -0.258805D+01  0.307114D+00 -0.176477D+01
                81            82            83            84            85 
      1   0.307114D+00  0.410416D+01 -0.775193D+00  0.298633D+00  0.850792D+01
      2  -0.176477D+01 -0.775193D+00 -0.390599D+01 -0.645946D+00 -0.109318D+00
      3   0.290987D+01  0.298633D+00 -0.645946D+00 -0.203759D+01  0.459824D+00
                86            87            88            89            90 
      1  -0.109318D+00  0.459824D+00  0.278779D+01 -0.191620D+00 -0.179775D+01
      2   0.157246D+01 -0.892013D+00 -0.191620D+00 -0.149744D+01  0.314902D+01
      3  -0.892013D+00  0.172383D+01 -0.179775D+01  0.314902D+01  0.123151D+01
                91            92            93            94            95 
      1  -0.447592D+01 -0.546086D+00 -0.248134D+00  0.554363D+01  0.410906D+00
      2  -0.546086D+00  0.288212D+01 -0.249468D+00  0.410906D+00  0.166527D+01
      3  -0.248134D+00 -0.249468D+00  0.100242D+01 -0.293819D+00 -0.103273D+01
                96            97            98            99           100 
      1  -0.293819D+00  0.660468D+00 -0.702578D+00  0.196046D+01  0.658013D+01
      2  -0.103273D+01 -0.702578D+00 -0.118364D+01  0.385319D+01  0.451319D+00
      3   0.228780D+01  0.196046D+01  0.385319D+01  0.253601D+01 -0.406174D+00
               101           102           103           104           105 
      1   0.451319D+00 -0.406174D+00  0.102932D+01 -0.585248D+00 -0.123222D+01
      2   0.350131D+01  0.562763D-01 -0.585248D+00  0.169281D+00 -0.592283D+00
      3   0.562763D-01  0.318825D+01 -0.123222D+01 -0.592283D+00  0.182968D+00
               106           107           108           109           110 
      1  -0.927490D-01 -0.127691D+01  0.541255D+01 -0.280452D+01 -0.948806D+00
      2  -0.127691D+01  0.781106D-01  0.455294D+00 -0.948806D+00  0.327184D+01
      3   0.541255D+01  0.455294D+00  0.109773D+01 -0.535575D+00  0.853456D+00
               111           112           113           114           115 
      1  -0.535575D+00 -0.626388D+01 -0.745401D+00 -0.990257D+00 -0.180914D+01
      2   0.853456D+00 -0.745401D+00 -0.113160D+01  0.128853D+01 -0.588651D+00
      3   0.195540D+01 -0.990257D+00  0.128853D+01 -0.211161D+01  0.294585D+01
               116           117           118           119           120 
      1  -0.588651D+00  0.294585D+01  0.573889D+01  0.260132D+01  0.978194D+00
      2   0.168517D+01 -0.325285D+01  0.260132D+01 -0.283149D+01 -0.166029D+00
      3  -0.325285D+01 -0.160369D+01  0.978194D+00 -0.166029D+00 -0.113528D+01
               121           122           123           124           125 
      1  -0.698259D+01 -0.624257D+00  0.128989D+00 -0.811431D+00  0.931656D+00
      2  -0.624257D+00 -0.205441D+01  0.104550D+01  0.931656D+00  0.107958D+01
      3   0.128989D+00  0.104550D+01 -0.195966D+01 -0.969194D+00 -0.354250D+01
               126           127           128           129           130 
      1  -0.969194D+00 -0.324717D+01  0.228510D+01  0.234220D+00  0.238357D+01
      2  -0.354250D+01  0.228510D+01 -0.271121D+01 -0.301467D+00 -0.283088D+01
      3  -0.268325D+01  0.234220D+00 -0.301467D+00 -0.418521D+00 -0.530791D+00
               131           132           133           134           135 
      1  -0.283088D+01 -0.530791D+00  0.153643D+00 -0.431011D+00 -0.200692D-01
      2   0.579607D+01  0.802951D+00 -0.431011D+00  0.976633D+00  0.147294D+00
      3   0.802951D+00  0.780742D+00 -0.200692D-01  0.147294D+00  0.177284D+00
               136           137           138           139           140 
      1   0.219174D+01  0.253808D+01  0.626554D+00  0.222975D+01  0.365811D+01
      2   0.253808D+01  0.280603D+01  0.656089D+00  0.365811D+01  0.908946D+01
      3   0.626554D+00  0.656089D+00  0.475813D+00  0.834711D+00  0.192004D+01
               141           142           143           144           145 
      1   0.834711D+00  0.649569D+00  0.948308D+00  0.203775D+00  0.127621D+02
      2   0.192004D+01  0.948308D+00  0.205777D+01  0.388029D+00  0.121486D+01
      3   0.121276D+01  0.203775D+00  0.388029D+00  0.250019D+00  0.953639D+00
               146           147           148           149           150 
      1   0.121486D+01  0.953639D+00  0.115324D+01  0.161652D+01  0.438554D+00
      2   0.843289D+00  0.789569D-01  0.161652D+01  0.459117D+00  0.150780D+00
      3   0.789569D-01  0.889792D+00  0.438554D+00  0.150780D+00  0.148538D+00
               151           152           153           154           155 
      1   0.107497D+01  0.433701D+00 -0.350179D-01  0.475002D+01 -0.376304D+01
      2   0.433701D+00  0.124789D+00  0.161467D-01 -0.376304D+01  0.347476D+01
      3  -0.350179D-01  0.161467D-01  0.121153D+00 -0.574431D+00  0.445281D+00
               156           157           158           159           160 
      1  -0.574431D+00 -0.364008D+01  0.434179D+01  0.800713D+00 -0.532955D+00
      2   0.445281D+00  0.434179D+01 -0.643823D+01 -0.104462D+01  0.660677D+00
      3   0.565085D+00  0.800713D+00 -0.104462D+01 -0.853823D+00  0.103349D+00
               161           162           163           164           165 
      1   0.660677D+00  0.103349D+00 -0.151827D+01 -0.174195D+01 -0.473059D+00
      2  -0.123927D+01 -0.129034D+00 -0.174195D+01 -0.216557D+01 -0.588647D+00
      3  -0.129034D+00 -0.136678D+00 -0.473059D+00 -0.588647D+00 -0.339300D+00
               166           167           168           169           170 
      1  -0.154035D+01 -0.203794D+01 -0.488732D+00 -0.508338D+00 -0.671440D+00
      2  -0.203794D+01 -0.809194D+01 -0.186396D+01 -0.671440D+00 -0.199570D+01
      3  -0.488732D+00 -0.186396D+01 -0.120645D+01 -0.703520D-01 -0.491405D+00
               171 
      1  -0.703520D-01
      2  -0.491405D+00
      3  -0.293317D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.298719D+00  0.291432D+01  0.258625D+01  0.317810D+00 -0.333045D+01
      2  -0.401401D+01 -0.370859D+01  0.134268D+02 -0.380788D+00  0.800925D+00
      3   0.381908D+01 -0.101948D+02  0.546036D+01 -0.286425D+01  0.541426D+01
                 6             7             8             9            10 
      1  -0.252503D+01 -0.128278D+01  0.431144D+01 -0.520465D+01 -0.123919D+01
      2   0.107079D+01  0.543513D+01  0.377562D+01 -0.107701D+02  0.389451D+01
      3  -0.283252D+01  0.296052D+01  0.918418D+00 -0.370080D+01 -0.228542D+01
                11            12            13            14            15 
      1  -0.522465D+00  0.928381D-01  0.172181D+01  0.347044D+01 -0.606034D+00
      2   0.186056D+01 -0.342626D+01  0.669475D+00 -0.770875D+01 -0.231605D+01
      3   0.141158D+01 -0.622009D+00  0.123449D+02  0.495609D+01  0.941880D+01
                16            17            18            19            20 
      1   0.368593D+01  0.270342D+01 -0.102230D+01 -0.112011D+00 -0.518489D+00
      2  -0.160442D+02 -0.487404D+01  0.313362D+01  0.521262D+01  0.209573D+01
      3   0.237971D+00  0.921053D+01  0.936818D+00  0.219098D+01  0.210855D+01
                21            22            23            24            25 
      1  -0.200758D+01 -0.186706D+00 -0.169886D+00 -0.126145D+01 -0.609574D+00
      2  -0.622645D+01  0.459449D+00  0.247637D+01 -0.389259D+01 -0.504934D+01
      3  -0.294335D+01  0.166854D+01  0.270108D+01 -0.259415D+01 -0.124248D+01
                26            27            28            29            30 
      1   0.102645D+01  0.458621D+01 -0.441657D+00 -0.133232D+00 -0.106233D+01
      2  -0.555237D+01  0.167546D+02  0.847974D+00  0.378568D+00  0.247605D+01
      3  -0.355607D+01  0.766309D+01 -0.326274D+01 -0.252527D+01 -0.477996D+00
                31            32            33            34            35 
      1  -0.395780D+00  0.750565D+00 -0.351287D+01 -0.737745D+00  0.641358D+00
      2  -0.341681D+00  0.391649D+01  0.447866D+01  0.587473D+00  0.276764D+01
      3   0.127223D+01 -0.115918D+02 -0.458439D+01  0.247031D+00 -0.465376D+01
                36            37            38            39            40 
      1  -0.217943D+01  0.288414D+01 -0.327789D+01 -0.524913D+00 -0.133505D+00
      2   0.355084D+01 -0.130507D+02 -0.456214D+01  0.112474D+02 -0.374313D+01
      3  -0.295565D+01  0.108555D+01 -0.951942D+01  0.152971D+01 -0.245210D+01
                41            42            43            44            45 
      1  -0.242705D+01 -0.100150D+02 -0.193968D+01 -0.487376D+01  0.398627D-01
      2   0.139978D+02  0.879514D+00  0.681687D+01  0.233052D+01  0.697835D+00
      3  -0.919514D-01 -0.142833D+02 -0.270067D+00 -0.130930D+02 -0.146929D+00
                46            47            48            49            50 
      1  -0.756170D+00  0.323529D-01  0.114789D+00 -0.119845D+01 -0.363227D+01
      2  -0.405826D+01 -0.923589D+00 -0.100084D+01 -0.121985D+01  0.747579D+00
      3   0.103984D+01  0.600633D+01  0.119962D+01  0.174191D+02  0.160952D+01
                51            52            53            54            55 
      1   0.137028D+01 -0.597117D+00  0.105048D+02  0.265312D+01 -0.968919D+00
      2   0.482954D+00 -0.148320D+02  0.640417D+00 -0.764742D+00  0.101984D+02
      3  -0.140663D+01  0.106231D+00 -0.712396D+00  0.176308D+00  0.267434D+01
                56            57            58            59            60 
      1  -0.194080D+01 -0.117476D+01 -0.153068D+01 -0.181803D+00 -0.190495D+00
      2   0.128124D+01  0.628764D+01  0.142700D+01 -0.414173D+00  0.887610D+00
      3  -0.586453D+01 -0.235146D+00 -0.197494D+01 -0.102831D+01  0.158436D+01
                61            62            63            64            65 
      1  -0.496773D+00  0.966035D+00 -0.252197D+00  0.156094D+01  0.133704D+01
      2   0.126367D+01  0.143296D+00  0.124143D+01 -0.147983D+01 -0.121157D+01
      3  -0.113968D+00  0.123400D+01  0.342096D+00  0.267962D+01  0.117616D+01
                66            67            68            69            70 
      1   0.148493D+00  0.490004D+00  0.788156D+01  0.307909D+01 -0.223216D+00
      2  -0.198820D+01 -0.170244D+01 -0.711004D+01 -0.756805D+01 -0.212617D+01
      3   0.203385D+00  0.210802D+01  0.107091D+02  0.691443D+01 -0.403059D+00
                71            72            73            74            75 
      1   0.555301D+01  0.357452D+01 -0.127775D+01  0.207202D+01  0.492913D+00
      2  -0.421830D+01 -0.767030D+01 -0.283274D+01  0.294870D+01 -0.334160D+01
      3   0.592309D+01  0.456612D+01 -0.359458D+01  0.366082D+01 -0.214451D+01
                76            77            78            79            80 
      1   0.102232D+01 -0.472643D+01  0.235914D+00  0.205285D+00  0.363108D+01
      2   0.315308D+01 -0.760938D+01  0.638451D+01 -0.331797D+01  0.479818D+01
      3   0.428687D+01 -0.102384D+02  0.678609D+01 -0.119317D+01  0.568439D+01
                81            82            83            84            85 
      1  -0.277595D+00 -0.259191D+00 -0.487097D+00  0.342168D+01 -0.100297D+01
      2  -0.718929D+01  0.199485D+01  0.318638D+00 -0.163527D+01  0.380071D+01
      3  -0.496143D+01 -0.430665D+00  0.108313D+01  0.747252D+00  0.225554D+01
                86            87            88            89            90 
      1   0.344927D+00 -0.241214D+01  0.713852D+01  0.315540D+01  0.495197D+00
      2   0.735466D+00  0.650510D+00 -0.119712D+02 -0.254883D+00  0.393305D+00
      3  -0.704025D+01  0.728337D+00 -0.133757D+01  0.108903D+00 -0.580803D+01
                91            92            93            94            95 
      1  -0.249359D-01  0.106191D+01 -0.235014D+01  0.154619D+01  0.127431D+00
      2  -0.689626D+00  0.249905D+01  0.299385D+00  0.127507D+01 -0.317311D+01
      3   0.311055D+01 -0.131857D+02 -0.229203D+01  0.309870D+01 -0.126774D+01
                96            97            98            99           100 
      1  -0.375802D+01 -0.504473D+01  0.830302D+00 -0.121665D+01  0.320881D+00
      2   0.578577D+01 -0.808741D+01  0.902875D+01  0.407427D+01  0.295648D+00
      3   0.181270D+01 -0.500424D+00  0.229890D+01 -0.454940D+01 -0.268205D+01
               101           102           103           104           105 
      1  -0.535318D+00 -0.115465D+01 -0.122244D+01 -0.279294D+01  0.252656D+01
      2  -0.517604D+00  0.871879D+01 -0.470553D+01  0.510681D-01  0.112853D+01
      3  -0.732614D+01  0.321483D+00  0.116802D+02 -0.189417D+01  0.127569D+01
               106           107           108           109           110 
      1  -0.217399D+01  0.111017D+02  0.282631D+01 -0.247908D+00 -0.953585D+00
      2   0.798583D+01  0.209562D+01  0.254449D+01 -0.953029D+00  0.164122D+01
      3   0.390596D+01  0.897090D+00 -0.628310D+00  0.380759D+01 -0.107096D+02
               111           112           113           114           115 
      1   0.329429D+01 -0.132349D+01 -0.786055D-01 -0.229550D+01  0.693777D+01
      2   0.278035D+01 -0.731779D+00  0.340138D+01 -0.641613D+01 -0.376115D+01
      3  -0.185867D+01  0.695953D+01  0.183044D+01 -0.217563D+01  0.822451D-02
               116           117           118           119           120 
      1   0.348928D+01  0.105565D+01  0.642974D-01  0.139134D+01 -0.259809D+01
      2  -0.994690D+01 -0.436848D+01  0.344706D+01  0.158340D+01 -0.150420D+01
      3  -0.332399D+01  0.416145D+01 -0.558239D+01 -0.279030D+01 -0.221373D+01
               121           122           123           124           125 
      1   0.110005D+01  0.991177D+00 -0.298352D+01 -0.497953D+01  0.962488D+00
      2   0.137791D+01 -0.732700D+00 -0.132689D+01 -0.131811D+02 -0.138704D+01
      3   0.336812D+01  0.678069D+01  0.125298D+00 -0.187039D+01 -0.398873D+00
               126           127           128           129           130 
      1  -0.968195D+00  0.200224D+00 -0.531733D+00  0.219046D+01  0.243303D+00
      2  -0.241968D+01  0.160732D+01 -0.716405D+00  0.797048D+00 -0.712330D+00
      3   0.518034D+01 -0.883383D+01  0.337774D+01  0.293715D+00  0.643881D+01
               131           132           133           134           135 
      1  -0.474416D-01 -0.308456D+01 -0.750673D-01  0.193815D+01 -0.143195D+00
      2   0.107642D+01 -0.114912D+01 -0.164924D+01  0.395448D+00 -0.253501D+00
      3  -0.488280D+01 -0.121223D+01 -0.222321D+00 -0.891877D+00 -0.189080D+00
               136           137           138           139           140 
      1  -0.157858D+00  0.825795D-01 -0.162864D+01 -0.157053D+00  0.475575D+00
      2   0.238513D+00  0.570104D+00  0.162141D+01  0.494834D+00  0.272601D+01
      3  -0.704800D+00 -0.261487D+01 -0.435129D+00 -0.111995D+01 -0.131017D+02
               141           142           143           144           145 
      1  -0.431140D+01  0.597528D+00  0.201126D+01 -0.559543D+00 -0.957017D-01
      2   0.316667D+01 -0.690117D+00 -0.357551D-01  0.644007D+00  0.107316D+01
      3  -0.250545D+01 -0.334054D+00 -0.299980D+01 -0.520244D+00 -0.624858D+00
               146           147           148           149           150 
      1   0.353737D+00 -0.581195D+00  0.468136D-01  0.331722D-01 -0.474884D+00
      2  -0.757064D-02  0.605520D+01  0.151892D+01  0.341555D+00  0.827195D+00
      3  -0.532283D+01  0.431194D-01 -0.372944D+01 -0.135875D+01 -0.382365D+00
               151           152           153           154           155 
      1   0.397796D+00  0.563180D+00 -0.227100D-01  0.140459D+00 -0.519485D+00
      2  -0.295961D+01 -0.189350D+00  0.403610D+00  0.759766D-02  0.712888D-01
      3  -0.121246D+01 -0.702725D+00 -0.616864D-02  0.134091D+01 -0.474470D+01
               156           157           158           159           160 
      1   0.217673D+01  0.287437D+00  0.157805D+00 -0.331292D+01 -0.886810D+00
      2   0.276721D+01  0.801367D+00 -0.146699D+01 -0.328174D+01 -0.946580D+00
      3  -0.225565D+00 -0.311636D+01  0.106955D+02  0.134889D+01 -0.927054D+00
               161           162           163           164           165 
      1   0.167767D+01 -0.300981D+00  0.111626D+00  0.174792D+00 -0.143613D+01
      2   0.587695D+00 -0.372433D+00 -0.146937D+01 -0.107108D+01  0.230132D+00
      3   0.211495D+01  0.103087D+00  0.586039D+01  0.350009D+01  0.111827D+01
               166           167           168           169           170 
      1   0.105296D+00  0.624266D+00 -0.405253D+01  0.476673D+00  0.228051D+01
      2  -0.144028D+01 -0.205598D+01  0.207855D+00 -0.192230D+01 -0.498338D+00
      3   0.680588D+01  0.819304D+01  0.225275D+01  0.216108D+01  0.194219D+01
               171 
      1  -0.552214D+00
      2   0.999543D-01
      3   0.336730D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.277160D+02 -0.195369D+01 -0.223264D+01 -0.896930D+01  0.296886D+01
      2  -0.156393D+02 -0.141007D+01 -0.621575D+01  0.399144D+01  0.766101D+01
      3  -0.120766D+02  0.336376D+01  0.844840D+01  0.497786D+01 -0.106299D+02
      4  -0.149895D+02  0.164387D+02 -0.717423D+01  0.199143D+02 -0.119410D+02
      5   0.124215D+02 -0.838030D+01  0.238440D+02 -0.120784D+02  0.956942D+01
      6  -0.477631D+01  0.445594D+01 -0.680891D+01  0.753481D+01 -0.367205D+01
                 6             7             8             9            10 
      1  -0.613270D+01 -0.141593D+01 -0.326812D+01  0.183237D+02  0.427674D+01
      2   0.293738D+01 -0.309234D+01 -0.204920D+01 -0.517048D+01  0.119412D+01
      3   0.319532D+01  0.450826D+01  0.531732D+01 -0.131532D+02 -0.547086D+01
      4   0.939847D+01 -0.614983D+01  0.394486D+00 -0.171798D+01  0.372449D+01
      5  -0.461426D+01  0.200579D+02 -0.277032D+00 -0.551767D+01  0.546091D+01
      6   0.549432D+01 -0.400691D+01  0.201295D+01  0.427415D+01  0.265477D+01
                11            12            13            14            15 
      1   0.166135D+01 -0.246418D+01  0.107987D+02  0.180390D+01  0.713432D+01
      2   0.159484D+00 -0.224136D+01 -0.812977D+01 -0.881000D+01 -0.128095D+02
      3  -0.182083D+01  0.470554D+01 -0.266897D+01  0.700610D+01  0.567522D+01
      4  -0.110786D+02  0.474288D+01 -0.170509D+02 -0.154134D+02 -0.198247D+02
      5   0.489904D+01 -0.174002D+02  0.131361D+02 -0.187631D+02 -0.159397D+01
      6  -0.631606D+00 -0.167676D+00 -0.775397D+01 -0.942491D+01 -0.645263D+01
                16            17            18            19            20 
      1   0.588588D+01  0.688625D+01 -0.762865D+01 -0.327293D+01 -0.341947D+01
      2  -0.105648D+02 -0.582850D+01  0.887888D+01  0.548885D+00  0.472671D+00
      3   0.467891D+01 -0.105774D+01 -0.125023D+01  0.272404D+01  0.294680D+01
      4   0.115276D+02 -0.145828D+02 -0.784971D+01  0.415289D+00 -0.253730D+01
      5  -0.324170D+02 -0.761026D+01  0.651563D+01  0.115223D+01  0.207465D+01
      6  -0.575066D+01 -0.795201D+01  0.177059D+01 -0.662806D+00 -0.247095D+01
                21            22            23            24            25 
      1   0.102497D+02 -0.169792D+01 -0.486859D+01  0.493418D+01  0.705105D+01
      2   0.462412D+00  0.261023D+00  0.203240D+01 -0.114065D+01 -0.266812D+01
      3  -0.107121D+02  0.143689D+01  0.283619D+01 -0.379353D+01 -0.438293D+01
      4   0.125632D+01  0.230009D+01 -0.436375D+01  0.348160D+01 -0.236432D+01
      5  -0.577467D+01 -0.470161D+00  0.339862D+01 -0.536068D+01  0.373614D+01
      6   0.447590D+01 -0.197754D+00 -0.403304D+01  0.731336D+01  0.916733D+00
                26            27            28            29            30 
      1   0.616467D+01 -0.207309D+02  0.300897D+01  0.311296D+01  0.238444D+01
      2   0.329890D+00 -0.690121D+01  0.530474D+00 -0.228578D+00 -0.293889D+00
      3  -0.649456D+01  0.276321D+02 -0.353944D+01 -0.288438D+01 -0.209055D+01
      4   0.463253D+01 -0.628007D+01  0.846598D+01  0.100835D+02  0.330995D+01
      5  -0.753442D+01  0.231400D+02  0.380679D+01  0.332212D+01  0.720789D+01
      6   0.680846D+01 -0.123260D+02  0.400786D+01  0.183891D+01  0.158646D+01
                31            32            33            34            35 
      1   0.177077D+01 -0.964424D+01 -0.468990D+01  0.758054D+00 -0.515179D+01
      2   0.232847D+01  0.174661D+02  0.567939D+01  0.863506D+00  0.422999D+01
      3  -0.409924D+01 -0.782186D+01 -0.989485D+00 -0.162156D+01  0.921794D+00
      4   0.132407D+02  0.265994D+02  0.100742D+02  0.474839D+01  0.106408D+02
      5   0.402594D+01  0.985858D+01  0.102276D+02  0.890661D+01  0.827542D+01
      6   0.406455D+01  0.140266D+02  0.962056D+01  0.389755D+01  0.109979D+02
                36            37            38            39            40 
      1  -0.444632D+01 -0.563791D+02 -0.134877D+02  0.819940D+01 -0.128535D+02
      2   0.755508D+00  0.233934D+02  0.788319D+01  0.853686D+00  0.699402D+01
      3   0.369081D+01  0.329857D+02  0.560449D+01 -0.905309D+01  0.585944D+01
      4   0.868100D+01 -0.172496D+02  0.871475D+01 -0.282945D+01  0.744792D+01
      5   0.864460D+01  0.105691D+02 -0.467251D+00  0.147293D+02 -0.257628D+01
      6   0.889655D+01  0.341598D+01 -0.702554D+01  0.375527D+01 -0.277571D+01
                41            42            43            44            45 
      1   0.188324D+02 -0.410368D+01 -0.486181D+01 -0.648755D+01  0.138931D+02
      2  -0.388214D+01  0.941497D+01  0.121537D+02  0.910469D+01 -0.140619D+02
      3  -0.149502D+02 -0.531129D+01 -0.729188D+01 -0.261714D+01  0.168814D+00
      4   0.500844D+01  0.192968D+02 -0.822085D+01  0.159248D+02  0.792277D+01
      5   0.145358D+02  0.563386D+01  0.259804D+02  0.775164D+01 -0.125239D+02
      6   0.194799D+01 -0.131668D+02  0.689931D+01 -0.967503D+01 -0.306143D+01
                46            47            48            49            50 
      1  -0.162030D+02 -0.283946D+01 -0.337350D+01  0.324229D+01 -0.774635D+01
      2   0.279533D+01  0.182077D+01 -0.108799D+01 -0.460925D+01  0.141514D+02
      3   0.134077D+02  0.101869D+01  0.446149D+01  0.136696D+01 -0.640505D+01
      4   0.228979D+01  0.424198D+01 -0.110518D+01 -0.101774D+02 -0.151426D+01
      5  -0.686788D+01 -0.156733D+01  0.239035D+01 -0.445382D+01  0.141039D+01
      6  -0.378907D+01  0.644919D+00  0.773804D+00 -0.309974D+01  0.560081D+01
                51            52            53            54            55 
      1  -0.661961D+00 -0.619701D+01 -0.183561D+01 -0.825986D+01  0.866522D+02
      2   0.658610D+01 -0.118656D+01  0.383034D+01 -0.384672D+01 -0.436112D+02
      3  -0.592414D+01  0.738357D+01 -0.199473D+01  0.121066D+02 -0.430410D+02
      4   0.118438D+01 -0.516776D+01  0.225602D+01  0.155180D+01  0.207949D+02
      5   0.582262D+00  0.614461D+01  0.117319D+01 -0.801705D+00 -0.276541D+02
      6  -0.264066D+01  0.430744D+00  0.684731D+01 -0.319382D+01 -0.405808D+01
                56            57            58            59            60 
      1   0.882658D+01 -0.495185D+01  0.801979D+01  0.555790D+01  0.398726D+00
      2  -0.275262D+01  0.622513D+01 -0.231302D+01 -0.197228D+01 -0.191889D+00
      3  -0.607397D+01 -0.127328D+01 -0.570678D+01 -0.358562D+01 -0.206837D+00
      4   0.132277D+02 -0.203213D+01  0.136832D+02  0.505269D+01 -0.285276D+01
      5  -0.339214D+01  0.142612D+02 -0.295608D+01 -0.381150D+01  0.170129D+01
      6  -0.330226D+01  0.228545D+01 -0.240924D+01 -0.129582D+01  0.302441D+01
                61            62            63            64            65 
      1   0.683555D+01  0.137632D+01  0.462224D+01  0.387430D+01 -0.228345D+01
      2  -0.124191D+01 -0.537593D+00 -0.311631D+01 -0.208448D+01  0.110811D+01
      3  -0.559364D+01 -0.838729D+00 -0.150592D+01 -0.178981D+01  0.117534D+01
      4   0.219322D+01 -0.356255D+00  0.130613D+01 -0.138385D+01 -0.394443D+00
      5   0.739657D+01  0.629960D+00 -0.215462D+00 -0.155404D+01  0.164701D+01
      6   0.115058D+01  0.198702D+01  0.465298D-01  0.212247D+01  0.177628D+01
                66            67            68            69            70 
      1  -0.467334D+01 -0.614066D+01 -0.846171D+01 -0.562544D+01 -0.339642D+01
      2   0.132839D+00  0.429990D+01  0.151838D+01 -0.539211D+01  0.225832D+01
      3   0.454050D+01  0.184076D+01  0.694332D+01  0.110176D+02  0.113809D+01
      4   0.282495D+00  0.273623D+01 -0.184580D+02 -0.119948D+02  0.148511D+01
      5  -0.861664D+00  0.779959D+01 -0.997848D+01 -0.143169D+02  0.431407D+01
      6   0.150844D+00 -0.615593D+00  0.129676D+02  0.105540D+02 -0.725289D+00
                71            72            73            74            75 
      1  -0.411770D+01 -0.977568D+01 -0.272654D+00  0.827601D+01 -0.749793D+01
      2  -0.411754D+01 -0.542163D+01  0.812395D+00 -0.527166D+01  0.133293D+01
      3   0.823524D+01  0.151973D+02 -0.539741D+00 -0.300435D+01  0.616500D+01
      4  -0.103488D+02 -0.810176D+01  0.188790D+01 -0.239187D+01  0.135373D+01
      5  -0.686576D+01 -0.127550D+02  0.120807D+00 -0.270344D+00 -0.241809D+01
      6   0.977508D+01  0.757266D+01 -0.338235D+01  0.554836D+01 -0.467141D+01
                76            77            78            79            80 
      1   0.831565D+01 -0.174412D+02  0.117311D+02 -0.386009D+01  0.971496D+01
      2  -0.464385D+01  0.138644D+02 -0.392473D+01  0.997172D+00 -0.294629D+01
      3  -0.367180D+01  0.357681D+01 -0.780637D+01  0.286292D+01 -0.676866D+01
      4   0.301543D+01  0.154215D+02 -0.105640D+02 -0.364494D+00 -0.873464D+01
      5  -0.444945D+01 -0.794856D+01  0.847877D+01  0.272774D+01  0.526362D+01
      6   0.974767D+00 -0.169995D+02  0.146360D+02 -0.137499D+01  0.128804D+02
                81            82            83            84            85 
      1  -0.140549D+02 -0.288421D+00  0.182360D+02  0.463741D+01 -0.470966D+01
      2   0.719108D+00 -0.580380D+00 -0.130303D+02  0.855789D+00  0.135247D+02
      3   0.133358D+02  0.868800D+00 -0.520570D+01 -0.549320D+01 -0.881500D+01
      4   0.603184D+01  0.107884D+02 -0.127340D+02 -0.669874D+00  0.362699D+01
      5  -0.876958D+01  0.283161D+01 -0.119432D+01 -0.279084D+01  0.290364D+01
      6  -0.117906D+02  0.230633D+01 -0.858206D+00 -0.700170D+01  0.799793D+01
                86            87            88            89            90 
      1   0.124856D+01  0.491133D+01 -0.176040D+01  0.557016D+01 -0.142417D+02
      2  -0.499161D+01 -0.299583D+01  0.713097D+01 -0.725233D+01  0.196638D+01
      3   0.374305D+01 -0.191550D+01 -0.537057D+01  0.168217D+01  0.122753D+02
      4   0.137871D+02  0.277047D+01  0.313249D+01  0.747892D+00  0.315306D+01
      5   0.259845D+01 -0.713728D+00  0.269154D+01  0.208538D+01 -0.739564D+00
      6  -0.548657D+01  0.557344D+01 -0.366021D+01  0.115722D+02 -0.204476D+00
                91            92            93            94            95 
      1   0.821715D+01 -0.229389D+02 -0.262609D+01  0.220292D+02  0.112507D+02
      2  -0.786432D+01  0.155131D+02  0.544093D+00 -0.194621D+02 -0.146773D+02
      3  -0.352834D+00  0.742579D+01  0.208200D+01 -0.256716D+01  0.342659D+01
      4  -0.152642D+02 -0.512299D+01 -0.310859D+01  0.122987D+02 -0.160765D+01
      5  -0.526694D+01 -0.184364D+01 -0.231817D+01  0.183844D+00 -0.675228D+01
      6  -0.416196D+01 -0.161410D+01  0.493147D+01 -0.507040D+01 -0.106724D+02
                96            97            98            99           100 
      1   0.302974D+01  0.443584D+01  0.286407D+00 -0.589957D+01 -0.852677D+01
      2  -0.686437D+01 -0.736164D+01 -0.827708D+01 -0.481377D+01  0.526762D+01
      3   0.383462D+01  0.292579D+01  0.799068D+01  0.107133D+02  0.325915D+01
      4  -0.631560D+01 -0.322242D+01 -0.897747D+01  0.138728D+02 -0.160135D+01
      5   0.118372D+02  0.128870D+02  0.141744D+02  0.897609D+01 -0.403064D+01
      6   0.645026D+01  0.557008D+01  0.146344D+02  0.338609D+01  0.343711D+00
               101           102           103           104           105 
      1  -0.338517D+01 -0.515099D+01  0.102401D+02 -0.213638D+02 -0.747100D+01
      2   0.264687D+01  0.180816D+01 -0.880282D+01  0.190447D+02  0.101398D+02
      3   0.738302D+00  0.334283D+01 -0.143729D+01  0.231913D+01 -0.266882D+01
      4   0.236492D+02  0.210745D+00 -0.208195D+02 -0.360323D+01 -0.353750D+01
      5  -0.117498D+00  0.198959D+02 -0.124063D+02 -0.134548D+01  0.212915D+01
      6   0.333916D+00  0.245115D+01 -0.300789D+01  0.416381D+01 -0.459934D+01
               106           107           108           109           110 
      1  -0.379203D+01 -0.828425D+01  0.139582D+02 -0.264520D+01  0.243847D+02
      2  -0.504535D+00  0.602285D+01 -0.170228D+02 -0.132959D+01 -0.158519D+02
      3   0.429657D+01  0.226140D+01  0.306464D+01  0.397479D+01 -0.853281D+01
      4  -0.129861D+02 -0.120208D+01  0.215805D+01  0.149086D+02  0.438579D+01
      5   0.356978D+02  0.309854D+01  0.572631D+01 -0.211175D+00  0.915390D+00
      6   0.147451D+01  0.643432D+01 -0.421333D+01  0.778007D+00 -0.150710D+01
               111           112           113           114           115 
      1   0.521697D+01 -0.286273D+02  0.473675D+01  0.110870D+01 -0.842449D+01
      2   0.517550D+00  0.270131D+02 -0.800627D+01 -0.142707D+01  0.100727D+02
      3  -0.573452D+01  0.161426D+01  0.326952D+01  0.318364D+00 -0.164823D+01
      4   0.240069D+01  0.250308D+01  0.884863D+01  0.932522D+01 -0.149157D+01
      5   0.572387D+01 -0.499549D+01  0.788209D+01 -0.132674D+02  0.196226D+02
      6  -0.783564D+01  0.728885D+01 -0.644604D+01  0.494501D+01 -0.650638D+01
               116           117           118           119           120 
      1   0.435126D+01  0.210700D+01  0.122110D+02 -0.119347D+02  0.979461D-01
      2  -0.807347D+01 -0.865689D+01 -0.755596D+01  0.931872D+01 -0.108564D+01
      3   0.372221D+01  0.654989D+01 -0.465507D+01  0.261597D+01  0.987698D+00
      4   0.831397D+01 -0.148095D+02 -0.572864D+01 -0.193595D+02 -0.326503D+01
      5  -0.148566D+02 -0.909439D+01  0.135993D+01 -0.232198D+01 -0.571198D+01
      6   0.125426D+02 -0.378819D+00 -0.158386D+01 -0.185760D+01  0.566195D+01
               121           122           123           124           125 
      1  -0.623750D-01  0.753699D+01  0.393661D+01  0.167338D+01  0.305957D+01
      2  -0.891040D+01 -0.115383D+02 -0.755476D+01 -0.408378D+01 -0.979509D+01
      3   0.897278D+01  0.400133D+01  0.361814D+01  0.241041D+01  0.673552D+01
      4   0.111469D+02 -0.138833D+02 -0.217082D+01 -0.635532D+00 -0.321079D+01
      5  -0.711819D+00 -0.247830D+01 -0.103642D+01  0.369494D+01 -0.569202D+01
      6  -0.516026D+01 -0.995047D+01  0.442947D+01  0.168458D+01  0.132465D+02
               126           127           128           129           130 
      1  -0.156377D+02 -0.467876D+01  0.753889D+01  0.890682D+00  0.813938D+01
      2   0.914677D-01  0.656683D+01 -0.108164D+02 -0.106738D+01 -0.111636D+02
      3   0.155462D+02 -0.188807D+01  0.327748D+01  0.176702D+00  0.302419D+01
      4  -0.696509D+01 -0.857415D+01  0.861863D+01  0.974298D+00  0.805814D+01
      5  -0.404639D+01 -0.878593D+00  0.108098D+01  0.201471D+01  0.135701D+01
      6   0.461250D+01  0.874363D+00 -0.136351D+01 -0.231396D+01 -0.231472D+01
               131           132           133           134           135 
      1  -0.201971D+02 -0.330234D+01  0.144454D+01 -0.327719D+01 -0.541377D+00
      2   0.275003D+02  0.264247D+01 -0.191292D+01  0.396707D+01  0.117854D+01
      3  -0.730317D+01  0.659871D+00  0.468374D+00 -0.689882D+00 -0.637165D+00
      4  -0.896204D+01 -0.100388D+01  0.116171D+01 -0.101052D+01 -0.181560D+01
      5  -0.124678D+01 -0.140028D+01  0.957131D+00 -0.604749D+00 -0.758023D+00
      6   0.442460D+01  0.502016D+01 -0.790242D+00  0.173070D+01  0.137303D+01
               136           137           138           139           140 
      1   0.533391D+01  0.440901D+01  0.827559D+00 -0.696432D+00 -0.150934D+02
      2   0.314937D+01  0.526462D+01  0.418835D+00  0.108925D+02  0.363291D+02
      3  -0.848328D+01 -0.967363D+01 -0.124639D+01 -0.101960D+02 -0.212357D+02
      4   0.179357D+02  0.226758D+02  0.482754D+01  0.236037D+02  0.452145D+02
      5   0.414311D+01  0.483930D+01  0.462506D+01  0.513834D+01  0.911760D+01
      6   0.316692D+01  0.385669D+01  0.275373D+01  0.506567D+01  0.124001D+02
               141           142           143           144           145 
      1  -0.335136D+01  0.225555D+00 -0.275987D+01 -0.158129D+01  0.968170D+02
      2   0.513837D+01  0.188733D+01  0.694659D+01  0.256405D+01 -0.543899D+02
      3  -0.178701D+01 -0.211288D+01 -0.418672D+01 -0.982752D+00 -0.424271D+02
      4   0.920960D+01  0.570063D+01  0.105990D+02  0.319996D+01  0.127021D+02
      5   0.587526D+01  0.196177D+01  0.259167D+01  0.198151D+01  0.963313D+01
      6   0.881356D+01  0.190645D+01  0.420441D+01  0.303254D+01 -0.175188D+01
               146           147           148           149           150 
      1   0.850311D+01  0.610392D+01  0.720618D+01  0.922298D+01  0.185144D+01
      2  -0.415945D+01 -0.414615D+01 -0.319750D+01 -0.413755D+01 -0.156496D+01
      3  -0.434366D+01 -0.195777D+01 -0.400868D+01 -0.508543D+01 -0.286483D+00
      4   0.951698D+01  0.677612D+00  0.151109D+02  0.409392D+01  0.134457D+01
      5   0.720856D+00  0.101196D+02  0.363488D+01  0.150443D+01  0.136318D+01
      6   0.325266D+00  0.545070D+00  0.823753D+00 -0.599012D-01  0.168072D+01
               151           152           153           154           155 
      1   0.779432D+01  0.206311D+01  0.261879D+01  0.209619D+02 -0.131881D+02
      2  -0.424773D+01 -0.109642D+01 -0.154434D+01 -0.343610D+01 -0.143261D+01
      3  -0.354658D+01 -0.966693D+00 -0.107446D+01 -0.175258D+02  0.146208D+02
      4   0.400836D+01  0.152397D+01  0.658793D+00 -0.320719D+02  0.297902D+02
      5   0.187873D+01  0.373326D+00  0.129396D+01 -0.544788D+01  0.392625D+01
      6   0.945383D-01  0.558862D+00  0.517725D+00  0.206904D+01 -0.184049D+01
               156           157           158           159           160 
      1  -0.230114D+01 -0.908760D+01  0.331963D+01  0.674311D+00 -0.641581D+00
      2   0.698814D+00 -0.619849D+01  0.167263D+02  0.822885D+00 -0.135909D+01
      3   0.160233D+01  0.152861D+02 -0.200460D+02 -0.149720D+01  0.200067D+01
      4   0.386361D+01  0.330246D+02 -0.430973D+02 -0.675346D+01  0.515366D+01
      5   0.583238D+01  0.590191D+01 -0.697465D+01 -0.562607D+01  0.191820D+01
      6  -0.298590D+01 -0.373005D+01  0.522282D+01  0.585649D+01 -0.139837D+01
               161           162           163           164           165 
      1  -0.964504D-01 -0.866314D-01 -0.494317D+01 -0.847992D+01 -0.261498D+01
      2   0.284433D+01  0.103175D+01  0.630332D+01  0.102470D+02  0.192724D+01
      3  -0.274788D+01 -0.945115D+00 -0.136015D+01 -0.176705D+01  0.687742D+00
      4  -0.677263D+01 -0.227714D+01  0.372857D+01  0.721588D+01  0.134302D+01
      5  -0.176873D+01 -0.114559D+01  0.953153D+00  0.118761D+01  0.179519D+01
      6   0.204783D+01  0.163117D+01  0.242687D+01  0.369108D+01  0.241409D+01
               166           167           168           169           170 
      1  -0.743641D+01 -0.316225D+02 -0.774435D+01 -0.211510D+01 -0.756645D+01
      2   0.916370D+01  0.416419D+02  0.724905D+01  0.249904D+01  0.932549D+01
      3  -0.172729D+01 -0.100195D+02  0.495293D+00 -0.383940D+00 -0.175904D+01
      4   0.523135D+01 -0.403738D+00 -0.526871D+00  0.149169D+01  0.162490D+00
      5   0.101643D+01 -0.576266D+00  0.101146D+00  0.737490D+00  0.570938D+00
      6   0.292604D+01  0.123449D+02  0.861146D+01  0.966490D+00  0.428642D+01
               171 
      1  -0.274774D+01
      2   0.326119D+01
      3  -0.513445D+00
      4   0.128073D+01
      5   0.630225D+00
      6   0.311323D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.541766D+00      0.137703D+01      0.459328D+01
   x          0.430597D+00      0.109447D+01      0.365076D+01
   y         -0.282856D+00     -0.718948D+00     -0.239815D+01
   z         -0.167596D+00     -0.425986D+00     -0.142094D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.948585D+02      0.140566D+02      0.156401D+02
   aniso      0.463482D+02      0.686809D+01      0.764178D+01
   xx         0.119741D+03      0.177437D+02      0.197426D+02
   yx         0.978013D+00      0.144927D+00      0.161253D+00
   yy         0.974025D+02      0.144336D+02      0.160595D+02
   zx         0.390203D+00      0.578222D-01      0.643358D-01
   zy         0.510433D+01      0.756383D+00      0.841590D+00
   zz         0.674325D+02      0.999246D+01      0.111181D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.103000D+03      0.152630D+02      0.169823D+02
   aniso      0.474675D+02      0.703396D+01      0.782634D+01
   xx         0.128894D+03      0.191002D+02      0.212518D+02
   yx         0.778511D+00      0.115363D+00      0.128359D+00
   yy         0.104940D+03      0.155506D+02      0.173023D+02
   zx         0.541025D+00      0.801716D-01      0.892029D-01
   zy         0.505840D+01      0.749578D+00      0.834018D+00
   zz         0.751638D+02      0.111381D+02      0.123928D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     8         -3.12982941         -0.62820153         -3.65767643
     6         -2.17234194          1.27559950         -1.99743722
     1         -3.87341185         -1.94798094         -2.64643554
     1         -3.75430812          2.21636858         -1.04102173
     6         -0.82607496          3.19883798         -3.65722918
     6         -0.44402530          0.18873548          0.00613316
     1         -2.12656188          3.94558091         -5.07078125
     1          0.76199081          2.30833506         -4.62398569
     1         -0.10870316          4.75625079         -2.51476853
     6          1.28484939         -1.70755937         -0.59546326
     6          2.91321040         -2.65401771          1.23176328
     6          2.84193646         -1.71084278          3.68423608
     6          1.12418060          0.17700041          4.29975684
     6         -0.51064626          1.11312418          2.46900096
     1          1.33080332         -2.44596170         -2.50217498
     1          4.24389039         -4.12896869          0.74204661
     1          4.11085719         -2.45046137          5.10768329
     1          1.04685552          0.91204869          6.20734132
     1         -1.85932682          2.57513253          2.95893918

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.541766D+00      0.137703D+01      0.459328D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.541766D+00      0.137703D+01      0.459328D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.948585D+02      0.140566D+02      0.156401D+02
   aniso      0.463482D+02      0.686809D+01      0.764178D+01
   xx         0.876665D+02      0.129908D+02      0.144543D+02
   yx        -0.189601D+02     -0.280960D+01     -0.312610D+01
   yy         0.876181D+02      0.129837D+02      0.144463D+02
   zx         0.141049D+02      0.209014D+01      0.232559D+01
   zy        -0.118088D+01     -0.174988D+00     -0.194700D+00
   zz         0.109291D+03      0.161952D+02      0.180196D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.103000D+03      0.152630D+02      0.169823D+02
   aniso      0.474675D+02      0.703396D+01      0.782634D+01
   xx         0.957949D+02      0.141953D+02      0.157945D+02
   yx        -0.190190D+02     -0.281833D+01     -0.313581D+01
   yy         0.952590D+02      0.141159D+02      0.157061D+02
   zx         0.148204D+02      0.219616D+01      0.244356D+01
   zy        -0.144797D+01     -0.214567D+00     -0.238738D+00
   zz         0.117945D+03      0.174776D+02      0.194465D+02

 ----------------------------------------------------------------------
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 Ideas are like rabbits. You get a couple and learn
 how to handle them, and pretty soon you have a dozen.
                                    -- John Steinbeck
 Job cpu time:       0 days  6 hours  3 minutes 45.1 seconds.
 Elapsed time:       0 days  0 hours 45 minutes 30.9 seconds.
 File lengths (MBytes):  RWF=    251 Int=      0 D2E=      0 Chk=      9 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 22:55:41 2021.
